N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide

C14H10BrClN2O2S — CID 103773290

IUPACN-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrClN2O2S/c1-9-6-10(8-17)2-5-14(9)21(19,20)18-13-4-3-11(16)7-12(13)15/h2-7,18H,1H3
InChIKeyLDWDBJXUFQLJSY-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.08
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide

N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 103773290) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID103773290
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC NameN-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrClN2O2S/c1-9-6-10(8-17)2-5-14(9)21(19,20)18-13-4-3-11(16)7-12(13)15/h2-7,18H,1H3
InChIKeyLDWDBJXUFQLJSY-UHFFFAOYSA-N
XLogP4.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide (CID 103773290) is N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is LDWDBJXUFQLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-9-6-10(8-17)2-5-14(9)21(19,20)18-13-4-3-11(16)7-12(13)15/h2-7,18H,1H3.
What are the key properties of N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide?
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 385.67 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 103773290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).