2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

C14H18ClNO2S — CID 3465734

IUPAC2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2
InChIKeyKKRAGUWMSHYNEP-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.51
Rot. Bonds5

About 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (PubChem CID 3465734) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
PubChem CID3465734
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2
InChIKeyKKRAGUWMSHYNEP-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (CID 3465734) is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1=CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KKRAGUWMSHYNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2.
What are the key properties of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide has a molecular weight of 299.82 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3465734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).