N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide

C15H14BrNO3S — CID 91114116

IUPACN-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C15H14BrNO3S/c1-10-14(11(2)18)4-3-5-15(10)17-21(19,20)13-8-6-12(16)7-9-13/h3-9,17H,1-2H3
InChIKeyCRBHXMNJIXHSDP-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.76
Rot. Bonds4

About N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide

N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide (PubChem CID 91114116) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
PubChem CID91114116
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C15H14BrNO3S/c1-10-14(11(2)18)4-3-5-15(10)17-21(19,20)13-8-6-12(16)7-9-13/h3-9,17H,1-2H3
InChIKeyCRBHXMNJIXHSDP-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

3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
CID 1290039
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-bromobenzenesulfonamide
CID 1448349

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide (CID 91114116) is N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1C.
What is the InChIKey of N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide?
The InChIKey is CRBHXMNJIXHSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-14(11(2)18)4-3-5-15(10)17-21(19,20)13-8-6-12(16)7-9-13/h3-9,17H,1-2H3.
What are the key properties of N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide?
N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide 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-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide is sourced from PubChem (CID 91114116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).