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

C13H11BrClNO2S — CID 113443382

IUPACN-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-7-11(14)13(8-12(9)15)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyIQEHSGDHJSJPFO-UHFFFAOYSA-N
MW360.66 g/mol
LogP4.21
Rot. Bonds3

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

N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide (PubChem CID 113443382) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
PubChem CID113443382
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-7-11(14)13(8-12(9)15)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyIQEHSGDHJSJPFO-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
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-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300420
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 104724505
N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
CID 104724279
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide (CID 113443382) is N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
The InChIKey is IQEHSGDHJSJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/c1-9-7-11(14)13(8-12(9)15)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide has a molecular weight of 360.66 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 113443382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).