2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide

C20H14BrClN2O2S — CID 26949865

IUPAC2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide
SMILESN#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl
InChIInChI=1S/C20H14BrClN2O2S/c21-18-8-4-5-9-20(18)27(25,26)24-15-10-11-16(19(22)12-15)17(13-23)14-6-2-1-3-7-14/h1-12,17,24H/t17-/m1/s1
InChIKeyWNXMIOUJCYQJGT-QGZVFWFLSA-N
MW461.77 g/mol
LogP5.56
Rot. Bonds5

About 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide

2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide (PubChem CID 26949865) has the molecular formula C20H14BrClN2O2S and a molecular weight of 461.77 g/mol. Its IUPAC name is 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide
PubChem CID26949865
Molecular FormulaC20H14BrClN2O2S
Molecular Weight461.77 g/mol
Exact Mass459.96
IUPAC Name2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide
SMILESN#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl
InChIInChI=1S/C20H14BrClN2O2S/c21-18-8-4-5-9-20(18)27(25,26)24-15-10-11-16(19(22)12-15)17(13-23)14-6-2-1-3-7-14/h1-12,17,24H/t17-/m1/s1
InChIKeyWNXMIOUJCYQJGT-QGZVFWFLSA-N
XLogP5.56
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.77
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 7938319
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 18230505
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
N-[5-[3-chloro-4-[cyano(phenyl)methyl]anilino]pentyl]propane-2-sulfonamide
CID 70938957
2-bromo-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5-fluorobenzamide
CID 55727326
2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 52781998
N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]-2,6-difluorobenzamide
CID 40649204
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46479777
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 81245009
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide (CID 26949865) is 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide is N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl.
What is the InChIKey of 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide?
The InChIKey is WNXMIOUJCYQJGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14BrClN2O2S/c21-18-8-4-5-9-20(18)27(25,26)24-15-10-11-16(19(22)12-15)17(13-23)14-6-2-1-3-7-14/h1-12,17,24H/t17-/m1/s1.
What are the key properties of 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide?
2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide has a molecular weight of 461.77 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 26949865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).