4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide

C11H20ClNO2S — CID 116816090

IUPAC4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCC1CC=CCC1
InChIInChI=1S/C11H20ClNO2S/c12-8-4-5-9-16(14,15)13-10-11-6-2-1-3-7-11/h1-2,11,13H,3-10H2
InChIKeyXOKAPSWMQGVOAK-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.28
Rot. Bonds7

About 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide

4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide (PubChem CID 116816090) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide
PubChem CID116816090
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC Name4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCC1CC=CCC1
InChIInChI=1S/C11H20ClNO2S/c12-8-4-5-9-16(14,15)13-10-11-6-2-1-3-7-11/h1-2,11,13H,3-10H2
InChIKeyXOKAPSWMQGVOAK-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide (CID 116816090) is 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)NCC1CC=CCC1.
What is the InChIKey of 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide?
The InChIKey is XOKAPSWMQGVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c12-8-4-5-9-16(14,15)13-10-11-6-2-1-3-7-11/h1-2,11,13H,3-10H2.
What are the key properties of 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide?
4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide has a molecular weight of 265.81 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohex-3-en-1-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 116816090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).