2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide

C9H16ClNO2S — CID 107651837

IUPAC2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC1CC=CCC1
InChIInChI=1S/C9H16ClNO2S/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8H2
InChIKeyNMWVRWPVLPMAFE-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.50
Rot. Bonds5

About 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide

2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide (PubChem CID 107651837) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
PubChem CID107651837
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC1CC=CCC1
InChIInChI=1S/C9H16ClNO2S/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8H2
InChIKeyNMWVRWPVLPMAFE-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.50
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 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide (CID 107651837) is 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide is O=S(=O)(CCCl)NCC1CC=CCC1.
What is the InChIKey of 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide?
The InChIKey is NMWVRWPVLPMAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8H2.
What are the key properties of 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide?
2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide has a molecular weight of 237.75 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 107651837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).