1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide

C18H18ClNO3S — CID 12005151

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C18H18ClNO3S/c1-13(14-5-3-2-4-6-14)20-17(21)18(11-12-18)24(22,23)16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeySDTIIRGMSLANBS-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 12005151) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
PubChem CID12005151
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C18H18ClNO3S/c1-13(14-5-3-2-4-6-14)20-17(21)18(11-12-18)24(22,23)16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeySDTIIRGMSLANBS-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide (CID 12005151) is 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is SDTIIRGMSLANBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-13(14-5-3-2-4-6-14)20-17(21)18(11-12-18)24(22,23)16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 12005151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).