1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

C18H18ClNO3S — CID 6621465

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO3S/c19-15-6-8-16(9-7-15)24(22,23)18(11-12-18)17(21)20-13-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)
InChIKeyOMJFOAFSLBTGPS-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.01
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 6621465) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
PubChem CID6621465
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO3S/c19-15-6-8-16(9-7-15)24(22,23)18(11-12-18)17(21)20-13-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)
InChIKeyOMJFOAFSLBTGPS-UHFFFAOYSA-N
XLogP3.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)sulfonyl-N-(2-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-(2-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (CID 6621465) is 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide is O=C(NCCc1ccccc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is OMJFOAFSLBTGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-15-6-8-16(9-7-15)24(22,23)18(11-12-18)17(21)20-13-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.01, 6 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-(2-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 6621465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).