3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C17H22ClNO3S — CID 24817922

IUPAC3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C17H22ClNO3S/c18-15-8-4-5-9-16(15)23(21,22)13-11-17(20)19-12-10-14-6-2-1-3-7-14/h4-6,8-9H,1-3,7,10-13H2,(H,19,20)
InChIKeyXPJVURULGPLSGQ-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.51
Rot. Bonds7

About 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 24817922) has the molecular formula C17H22ClNO3S and a molecular weight of 355.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID24817922
Molecular FormulaC17H22ClNO3S
Molecular Weight355.89 g/mol
Exact Mass355.10
IUPAC Name3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C17H22ClNO3S/c18-15-8-4-5-9-16(15)23(21,22)13-11-17(20)19-12-10-14-6-2-1-3-7-14/h4-6,8-9H,1-3,7,10-13H2,(H,19,20)
InChIKeyXPJVURULGPLSGQ-UHFFFAOYSA-N
XLogP3.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 24817922) is 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1Cl)NCCC1=CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is XPJVURULGPLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3S/c18-15-8-4-5-9-16(15)23(21,22)13-11-17(20)19-12-10-14-6-2-1-3-7-14/h4-6,8-9H,1-3,7,10-13H2,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 355.89 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 24817922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).