N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide

C15H14BrNO3S — CID 35506281

IUPACN-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1
InChIInChI=1S/C15H14BrNO3S/c1-10-3-8-15(14(16)9-10)21(19,20)17-13-6-4-12(5-7-13)11(2)18/h3-9,17H,1-2H3
InChIKeyDLWZSCNDITVLKN-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.76
Rot. Bonds4

About N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide

N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide (PubChem CID 35506281) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
PubChem CID35506281
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1
InChIInChI=1S/C15H14BrNO3S/c1-10-3-8-15(14(16)9-10)21(19,20)17-13-6-4-12(5-7-13)11(2)18/h3-9,17H,1-2H3
InChIKeyDLWZSCNDITVLKN-UHFFFAOYSA-N
XLogP3.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
1-[4-[(2-bromo-4-methylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 39829886
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
2-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 103878560
3-bromo-4-[(3,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78850990
4-acetyl-2-bromo-N-methylbenzenesulfonamide
CID 157311179
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 3549447
N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 20815752
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960008

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide (CID 35506281) is N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is DLWZSCNDITVLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-3-8-15(14(16)9-10)21(19,20)17-13-6-4-12(5-7-13)11(2)18/h3-9,17H,1-2H3.
What are the key properties of N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide?
N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 35506281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).