4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide

C13H10Br2ClNO2S — CID 104724305

IUPAC4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-6-11(15)13(7-12(8)16)17-20(18,19)10-4-2-9(14)3-5-10/h2-7,17H,1H3
InChIKeyQWKJHSRANMHRIP-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.97
Rot. Bonds3

About 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide

4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide (PubChem CID 104724305) has the molecular formula C13H10Br2ClNO2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
PubChem CID104724305
Molecular FormulaC13H10Br2ClNO2S
Molecular Weight439.56 g/mol
Exact Mass436.85
IUPAC Name4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-6-11(15)13(7-12(8)16)17-20(18,19)10-4-2-9(14)3-5-10/h2-7,17H,1H3
InChIKeyQWKJHSRANMHRIP-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 104724699
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 104725769
2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 104725117
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide (CID 104724305) is 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
The InChIKey is QWKJHSRANMHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNO2S/c1-8-6-11(15)13(7-12(8)16)17-20(18,19)10-4-2-9(14)3-5-10/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 4.97, 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-bromo-5-chloro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 104724305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).