2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide

C17H19ClN2O3S — CID 2228879

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(24(22,23)14-8-5-4-6-9-14)12-17(21)19-16-11-7-10-15(18)13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeySOMLNELZTXDWPJ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.30
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide

2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 2228879) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID2228879
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(24(22,23)14-8-5-4-6-9-14)12-17(21)19-16-11-7-10-15(18)13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeySOMLNELZTXDWPJ-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 24510641
2-(3-chloro-2-methylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9099238
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 126010729
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
CID 17247131
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 2228879) is 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide is CCN(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is SOMLNELZTXDWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-20(24(22,23)14-8-5-4-6-9-14)12-17(21)19-16-11-7-10-15(18)13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 2228879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).