4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide

C15H16BrNO2S — CID 60641368

IUPAC4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H16BrNO2S/c1-3-12-5-4-6-13(10-12)17-20(18,19)14-7-8-15(16)11(2)9-14/h4-10,17H,3H2,1-2H3
InChIKeyDSDJRPIBRBZQIC-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.12
Rot. Bonds4

About 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide

4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide (PubChem CID 60641368) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
PubChem CID60641368
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H16BrNO2S/c1-3-12-5-4-6-13(10-12)17-20(18,19)14-7-8-15(16)11(2)9-14/h4-10,17H,3H2,1-2H3
InChIKeyDSDJRPIBRBZQIC-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 164745289
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24650335
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
4-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 39341746
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide (CID 60641368) is 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide is CCc1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1.
What is the InChIKey of 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is DSDJRPIBRBZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-3-12-5-4-6-13(10-12)17-20(18,19)14-7-8-15(16)11(2)9-14/h4-10,17H,3H2,1-2H3.
What are the key properties of 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 60641368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).