4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide

C14H14BrNO2S — CID 4517500

IUPAC4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO2S/c1-10-3-4-11(2)14(9-10)16-19(17,18)13-7-5-12(15)6-8-13/h3-9,16H,1-2H3
InChIKeyKOXKQNYUYPNSTG-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.87
Rot. Bonds3

About 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide

4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide (PubChem CID 4517500) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
PubChem CID4517500
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO2S/c1-10-3-4-11(2)14(9-10)16-19(17,18)13-7-5-12(15)6-8-13/h3-9,16H,1-2H3
InChIKeyKOXKQNYUYPNSTG-UHFFFAOYSA-N
XLogP3.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
4-bromo-N-(5-methyl-2-nitrophenyl)benzenesulfonamide
CID 115912716
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 3689822
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000614
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide (CID 4517500) is 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is KOXKQNYUYPNSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-10-3-4-11(2)14(9-10)16-19(17,18)13-7-5-12(15)6-8-13/h3-9,16H,1-2H3.
What are the key properties of 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 4517500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).