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RO5126946

CAT: 0013-GTR19209281-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209281-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO5126946
CAS Number
1137233-79-4
Smiles
N (C (=O) C1=C (OC) C=CC (Cl) =C1) [C@H]2[C@@H] (C2 (C) C) C3=CC=C (S (N) (=O) =O) C=C3
Molecular Formula
C19H21ClN2O4S
Molecular Weight
408.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Chloro-N-((1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl)-2-methoxybenzamide
CAS Number1137233-79-4
PubChem CID25222733
IUPAC Name5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.9
XLogP3.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity655
SMILES
CC1([C@H]([C@@H]1NC(=O)C2=C(C=CC(=C2)Cl)OC)C3=CC=C(C=C3)S(=O)(=O)N)C
InChI
InChI=1S/C19H21ClN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)22-18(23)14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)/t16-,17-/m0/s1
InChIKey
HWESNYSSTJZULU-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-N-((1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl)-2-methoxybenzamide
CAS: 1137233-79-4
CID: 25222733
Formula: C19H21ClN2O4S
MW: 408.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.9
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass408.0910560
Monoisotopic Mass408.0910560
Topological Polar Surface Area107 Ų
Heavy Atom Count27
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T71398-01RO5126946

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