3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide

C11H20ClNO2S — CID 79585606

IUPAC3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20ClNO2S/c1-10(7-12)9-16(14,15)13-8-11-5-3-2-4-6-11/h2-3,10-11,13H,4-9H2,1H3
InChIKeyUBXKEBSBMXVJDU-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.14
Rot. Bonds6

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

3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide (PubChem CID 79585606) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide
PubChem CID79585606
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC Name3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20ClNO2S/c1-10(7-12)9-16(14,15)13-8-11-5-3-2-4-6-11/h2-3,10-11,13H,4-9H2,1H3
InChIKeyUBXKEBSBMXVJDU-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.14
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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Related Compounds

N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
CID 18714020
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide
CID 43654294
N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
CID 61808806
N-(cyclohex-3-en-1-ylmethyl)propane-2-sulfonamide
CID 61808807
N-(cyclohex-3-en-1-ylmethyl)propane-1-sulfonamide
CID 61808808
3-chloro-N-(cyclohex-3-en-1-ylmethyl)propane-1-sulfonamide
CID 61979465
1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
CID 63664366
3-chloro-N-cyclohex-3-en-1-ylpropane-1-sulfonamide
CID 65680006
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-1-sulfonamide
CID 79585188
3-chloro-N-cyclohex-3-en-1-yl-2-methylpropane-1-sulfonamide
CID 79588803
3-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methylpropane-1-sulfonamide
CID 106178252
2-chloro-N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
CID 107651837

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide (CID 79585606) is 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCC1CC=CCC1.
What is the InChIKey of 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide?
The InChIKey is UBXKEBSBMXVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c1-10(7-12)9-16(14,15)13-8-11-5-3-2-4-6-11/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide has a molecular weight of 265.81 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).