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

C14H13BrClNO3S — CID 60641377

IUPAC4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClNO3S/c1-9-7-13(14(20-2)8-12(9)16)17-21(18,19)11-5-3-10(15)4-6-11/h3-8,17H,1-2H3
InChIKeyJKWRAICWHXCJSV-UHFFFAOYSA-N
MW390.69 g/mol
LogP4.22
Rot. Bonds4

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

4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide (PubChem CID 60641377) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
PubChem CID60641377
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClNO3S/c1-9-7-13(14(20-2)8-12(9)16)17-21(18,19)11-5-3-10(15)4-6-11/h3-8,17H,1-2H3
InChIKeyJKWRAICWHXCJSV-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate
CID 2351121
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998350
methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 31700482
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide (CID 60641377) is 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
The InChIKey is JKWRAICWHXCJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c1-9-7-13(14(20-2)8-12(9)16)17-21(18,19)11-5-3-10(15)4-6-11/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 60641377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).