[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide

C15H13BrClNO3S — CID 146252089

IUPAC[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)c2ccc(CS(N)(=O)=O)cc2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO3S/c1-9-2-4-12(14(17)6-9)15(19)11-5-3-10(7-13(11)16)8-22(18,20)21/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyJXEIWHZCYHVNLE-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.43
Rot. Bonds4

About [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide

[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide (PubChem CID 146252089) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide
PubChem CID146252089
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC Name[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)c2ccc(CS(N)(=O)=O)cc2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO3S/c1-9-2-4-12(14(17)6-9)15(19)11-5-3-10(7-13(11)16)8-22(18,20)21/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyJXEIWHZCYHVNLE-UHFFFAOYSA-N
XLogP3.43
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide
CID 146240597
(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860843
[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 146240510
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
CID 134514613
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
[2-bromo-4-(ethylsulfanylmethyl)phenyl]-(2-chloro-4-fluorophenyl)methanone;ethane
CID 142346523
(2-bromo-4-methylphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349193
(2-chlorophenyl)-(2,4-dibromophenyl)methanone
CID 107944284
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide?
The IUPAC name of [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide (CID 146252089) is [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide.
What is the SMILES notation for [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide?
The canonical SMILES for [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide is Cc1ccc(C(=O)c2ccc(CS(N)(=O)=O)cc2Br)c(Cl)c1.
What is the InChIKey of [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide?
The InChIKey is JXEIWHZCYHVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c1-9-2-4-12(14(17)6-9)15(19)11-5-3-10(7-13(11)16)8-22(18,20)21/h2-7H,8H2,1H3,(H2,18,20,21).
What are the key properties of [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide?
[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide has a molecular weight of 402.70 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 146252089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).