2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide

C21H18BrClN2O3S — CID 2273343

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18BrClN2O3S/c1-15-13-17(23)9-12-20(15)25(29(27,28)19-5-3-2-4-6-19)14-21(26)24-18-10-7-16(22)8-11-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyGFPYQTQDTWERGT-UHFFFAOYSA-N
MW493.81 g/mol
LogP5.24
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide (PubChem CID 2273343) has the molecular formula C21H18BrClN2O3S and a molecular weight of 493.81 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
PubChem CID2273343
Molecular FormulaC21H18BrClN2O3S
Molecular Weight493.81 g/mol
Exact Mass491.99
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18BrClN2O3S/c1-15-13-17(23)9-12-20(15)25(29(27,28)19-5-3-2-4-6-19)14-21(26)24-18-10-7-16(22)8-11-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyGFPYQTQDTWERGT-UHFFFAOYSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.81
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-methoxyphenyl)acetamide
CID 1361538
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 51344789
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879946
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 126279267
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 1338919
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-bromophenyl)acetamide
CID 30170255
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2279264
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide (CID 2273343) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide is Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide?
The InChIKey is GFPYQTQDTWERGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3S/c1-15-13-17(23)9-12-20(15)25(29(27,28)19-5-3-2-4-6-19)14-21(26)24-18-10-7-16(22)8-11-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide has a molecular weight of 493.81 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 2273343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).