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BML-287

CAT: 0572-TRC-B595890-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B595890-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
915754-05-1
Synonyms
Methyl-(3R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-triacetyloxyoxane-2-carboxylate; BML-287
Hazard Statement
No Data Available
Smiles
O=S(NCCC1=CC=C(C(OC)=C1)OC)(C2=CC(S(=O)(C3=CC=CC=C3)=O)=CC=C2CC)=O
Molecular Formula
C24H27NO6S2
Molecular Weight
489.6
InChI
InChI=1S/C24H27NO6S2/c1-4-19-11-12-21(32(26,27)20-8-6-5-7-9-20)17-24(19)33(28,29)25-15-14-18-10-13-22(30-2)23(16-18)31-3/h5-13,16-17,25H,4,14-15H2,1-3H3
Additionnal Information
IUPAC name: N-(3,4-dimethoxyphenethyl)-2-ethyl-5-(phenylsulfonyl)benzenesulfonamide
Shipping Conditions
Room Temperature

Chemical Information

5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylbenzenesulfonamide

5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylbenzenesulfonamide is a sulfonamide.

CAS Number915754-05-1
PubChem CID25147679
IUPAC Name5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylbenzenesulfonamide
Molecular FormulaC24H27NO6S2
Molecular Weight489.6
XLogP4.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity798
SMILES
CCC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C24H27NO6S2/c1-4-19-11-12-21(32(26,27)20-8-6-5-7-9-20)17-24(19)33(28,29)25-15-14-18-10-13-22(30-2)23(16-18)31-3/h5-13,16-17,25H,4,14-15H2,1-3H3
InChIKey
IKXOJNAQUMCNNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylbenzenesulfonamide
CAS: 915754-05-1
CID: 25147679
Formula: C24H27NO6S2
MW: 489.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass489.12797993
Monoisotopic Mass489.12797993
Topological Polar Surface Area116 Ų
Heavy Atom Count33
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-114023BML-288
CAA85432BML-190
HY-19987-01BML-284
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HY-133095-01BML-260
MBS3604905-01BML-210

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