N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide

C13H8BrClN2O2S — CID 103822995

IUPACN-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H8BrClN2O2S/c14-12-5-4-10(7-13(12)15)17-20(18,19)11-3-1-2-9(6-11)8-16/h1-7,17H
InChIKeyXEQXPHBZUYVYDA-UHFFFAOYSA-N
MW371.64 g/mol
LogP3.77
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide

N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide (PubChem CID 103822995) has the molecular formula C13H8BrClN2O2S and a molecular weight of 371.64 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
PubChem CID103822995
Molecular FormulaC13H8BrClN2O2S
Molecular Weight371.64 g/mol
Exact Mass369.92
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H8BrClN2O2S/c14-12-5-4-10(7-13(12)15)17-20(18,19)11-3-1-2-9(6-11)8-16/h1-7,17H
InChIKeyXEQXPHBZUYVYDA-UHFFFAOYSA-N
XLogP3.77
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
CID 82705509
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-cyanobenzenesulfonamide
CID 46392537
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide (CID 103822995) is N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide?
The InChIKey is XEQXPHBZUYVYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2S/c14-12-5-4-10(7-13(12)15)17-20(18,19)11-3-1-2-9(6-11)8-16/h1-7,17H.
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide?
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide has a molecular weight of 371.64 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 103822995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).