3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide

C13H11BrClNO2S — CID 113246739

IUPAC3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-4-2-7-12(13(9)15)16-19(17,18)11-6-3-5-10(14)8-11/h2-8,16H,1H3
InChIKeyKHGGFTVOLPDSTH-UHFFFAOYSA-N
MW360.66 g/mol
LogP4.21
Rot. Bonds3

About 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide

3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide (PubChem CID 113246739) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
PubChem CID113246739
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC Name3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-4-2-7-12(13(9)15)16-19(17,18)11-6-3-5-10(14)8-11/h2-8,16H,1H3
InChIKeyKHGGFTVOLPDSTH-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

3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
CID 17480748
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
CID 26979142
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide (CID 113246739) is 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1Cl.
What is the InChIKey of 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide?
The InChIKey is KHGGFTVOLPDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/c1-9-4-2-7-12(13(9)15)16-19(17,18)11-6-3-5-10(14)8-11/h2-8,16H,1H3.
What are the key properties of 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide?
3-bromo-N-(2-chloro-3-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 3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 113246739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).