2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide

C21H19BrN2O3S — CID 30169165

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19BrN2O3S/c1-16-8-5-6-13-20(16)24(28(26,27)19-11-3-2-4-12-19)15-21(25)23-18-10-7-9-17(22)14-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyGKISGFPIRNTPRP-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.59
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide (PubChem CID 30169165) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
PubChem CID30169165
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19BrN2O3S/c1-16-8-5-6-13-20(16)24(28(26,27)19-11-3-2-4-12-19)15-21(25)23-18-10-7-9-17(22)14-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyGKISGFPIRNTPRP-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
CID 1372321
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
CID 28589218
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 1318772
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126255214
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126122522
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1137059
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide
CID 2889303
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide (CID 30169165) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide is Cc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide?
The InChIKey is GKISGFPIRNTPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-16-8-5-6-13-20(16)24(28(26,27)19-11-3-2-4-12-19)15-21(25)23-18-10-7-9-17(22)14-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide has a molecular weight of 459.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 30169165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).