N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide

C15H13BrN2O2S — CID 103866062

IUPACN-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2C)c1
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-5-13(16)14(7-10)18-21(19,20)15-6-4-12(9-17)8-11(15)2/h3-8,18H,1-2H3
InChIKeyQCHNCOGSDRJQBZ-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.74
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide

N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 103866062) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID103866062
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2C)c1
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-5-13(16)14(7-10)18-21(19,20)15-6-4-12(9-17)8-11(15)2/h3-8,18H,1-2H3
InChIKeyQCHNCOGSDRJQBZ-UHFFFAOYSA-N
XLogP3.74
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
CID 82705509
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(2-bromo-5-cyanophenyl)methanesulfonamide
CID 66834104
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide (CID 103866062) is N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2ccc(C#N)cc2C)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is QCHNCOGSDRJQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-10-3-5-13(16)14(7-10)18-21(19,20)15-6-4-12(9-17)8-11(15)2/h3-8,18H,1-2H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 103866062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).