3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide

C11H20ClNO2S — CID 43654294

IUPAC3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCC1=CCCCC1
InChIInChI=1S/C11H20ClNO2S/c12-8-4-10-16(14,15)13-9-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2
InChIKeyZEZHFDUPUSZVGG-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.43
Rot. Bonds7

About 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide

3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 43654294) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide
PubChem CID43654294
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC Name3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCC1=CCCCC1
InChIInChI=1S/C11H20ClNO2S/c12-8-4-10-16(14,15)13-9-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2
InChIKeyZEZHFDUPUSZVGG-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide (CID 43654294) is 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NCCC1=CCCCC1.
What is the InChIKey of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is ZEZHFDUPUSZVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c12-8-4-10-16(14,15)13-9-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2.
What are the key properties of 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 265.81 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 43654294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).