2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C17H23ClN2O3S — CID 2954729

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H23ClN2O3S/c1-13(17(21)19-12-11-14-5-3-2-4-6-14)20-24(22,23)16-9-7-15(18)8-10-16/h5,7-10,13,20H,2-4,6,11-12H2,1H3,(H,19,21)
InChIKeyAIKJKMWOBCHZND-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.01
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 2954729) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID2954729
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H23ClN2O3S/c1-13(17(21)19-12-11-14-5-3-2-4-6-14)20-24(22,23)16-9-7-15(18)8-10-16/h5,7-10,13,20H,2-4,6,11-12H2,1H3,(H,19,21)
InChIKeyAIKJKMWOBCHZND-UHFFFAOYSA-N
XLogP3.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.01
H-Bond Donors ≤ 52
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 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 2954729) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is AIKJKMWOBCHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-13(17(21)19-12-11-14-5-3-2-4-6-14)20-24(22,23)16-9-7-15(18)8-10-16/h5,7-10,13,20H,2-4,6,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 370.90 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 2954729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).