2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide

C17H19ClN2O4S — CID 3139242

IUPAC2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-12-11-19-17(21)13-20(16-10-6-5-9-15(16)18)25(22,23)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyCSFZPNXTZOBOAM-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.30
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide (PubChem CID 3139242) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
PubChem CID3139242
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-12-11-19-17(21)13-20(16-10-6-5-9-15(16)18)25(22,23)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyCSFZPNXTZOBOAM-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
CID 846509
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
CID 30169183
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133240413
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30200408
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92646148
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076
2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 9383386

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide (CID 3139242) is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CSFZPNXTZOBOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-12-11-19-17(21)13-20(16-10-6-5-9-15(16)18)25(22,23)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide?
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 382.87 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3139242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).