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J-30

CAT: 0013-GTR19194237Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194237Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
J-30
CAS Number
916484-16-7
Smiles
O=C (NC1=CC=CC2=C1N (CC2) S (=O) (=O) C3=CC=C (OC) C=C3) C=4C=CN=CC4
Molecular Formula
C21H19N3O4S
Molecular Weight
409.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CAS Number916484-16-7
PubChem CID16215971
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]pyridine-4-carboxamide
Molecular FormulaC21H19N3O4S
Molecular Weight409.5
XLogP2.4
Topological Polar Surface Area97
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity666
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C2C(=CC=C3)NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C21H19N3O4S/c1-28-17-5-7-18(8-6-17)29(26,27)24-14-11-15-3-2-4-19(20(15)24)23-21(25)16-9-12-22-13-10-16/h2-10,12-13H,11,14H2,1H3,(H,23,25)
InChIKey
QGWOKAXBIMWTNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CAS: 916484-16-7
CID: 16215971
Formula: C21H19N3O4S
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass409.10962727
Monoisotopic Mass409.10962727
Topological Polar Surface Area97 Ų
Heavy Atom Count29
Formal Charge0
Complexity666
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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