N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide

C15H14BrNO3S — CID 169370890

IUPACN-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1cccc(Br)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-8-12(9-7-10)21(19,20)17-15-13(11(2)18)4-3-5-14(15)16/h3-9,17H,1-2H3
InChIKeyKDBAPPUOFYRXSL-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.76
Rot. Bonds4

About N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide

N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide (PubChem CID 169370890) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
PubChem CID169370890
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1cccc(Br)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-8-12(9-7-10)21(19,20)17-15-13(11(2)18)4-3-5-14(15)16/h3-9,17H,1-2H3
InChIKeyKDBAPPUOFYRXSL-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-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
CID 91114116
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
5-bromo-2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373142
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 142745813
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(5-bromo-3-oxo-1H-2-benzofuran-4-yl)-4-methylbenzenesulfonamide
CID 169372315
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide (CID 169370890) is N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide is CC(=O)c1cccc(Br)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide?
The InChIKey is KDBAPPUOFYRXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-6-8-12(9-7-10)21(19,20)17-15-13(11(2)18)4-3-5-14(15)16/h3-9,17H,1-2H3.
What are the key properties of N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide?
N-(2-acetyl-6-bromophenyl)-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-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).