2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide

C13H17ClN2O3S — CID 934992

IUPAC2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide
SMILESCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-2-16(9-13(17)15-11-5-6-11)20(18,19)12-7-3-10(14)4-8-12/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,17)
InChIKeyMGEZHKMTMLDFSB-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.63
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide (PubChem CID 934992) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide
PubChem CID934992
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide
SMILESCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c1-2-16(9-13(17)15-11-5-6-11)20(18,19)12-7-3-10(14)4-8-12/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,17)
InChIKeyMGEZHKMTMLDFSB-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide (CID 934992) is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide is CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide?
The InChIKey is MGEZHKMTMLDFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-2-16(9-13(17)15-11-5-6-11)20(18,19)12-7-3-10(14)4-8-12/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,17).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide?
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide has a molecular weight of 316.81 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).