2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide

C20H17ClN2O3S — CID 1475349

IUPAC2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17ClN2O3S/c21-16-11-13-18(14-12-16)23(27(25,26)19-9-5-2-6-10-19)15-20(24)22-17-7-3-1-4-8-17/h1-14H,15H2,(H,22,24)
InChIKeyYGSILWXGAPYOCR-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.17
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide

2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide (PubChem CID 1475349) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
PubChem CID1475349
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17ClN2O3S/c21-16-11-13-18(14-12-16)23(27(25,26)19-9-5-2-6-10-19)15-20(24)22-17-7-3-1-4-8-17/h1-14H,15H2,(H,22,24)
InChIKeyYGSILWXGAPYOCR-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99943258
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92673763
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1317361

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide (CID 1475349) is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide is O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide?
The InChIKey is YGSILWXGAPYOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c21-16-11-13-18(14-12-16)23(27(25,26)19-9-5-2-6-10-19)15-20(24)22-17-7-3-1-4-8-17/h1-14H,15H2,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide?
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide has a molecular weight of 400.89 g/mol, XLogP of 4.17, 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-chloroanilino]-N-phenylacetamide is sourced from PubChem (CID 1475349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).