3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide

C11H22ClNO2S — CID 43654424

IUPAC3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C11H22ClNO2S/c1-2-13(11-7-4-3-5-8-11)16(14,15)10-6-9-12/h11H,2-10H2,1H3
InChIKeyNPSUAKWAUYLIAG-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.60
Rot. Bonds6

About 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide

3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide (PubChem CID 43654424) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide
PubChem CID43654424
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C11H22ClNO2S/c1-2-13(11-7-4-3-5-8-11)16(14,15)10-6-9-12/h11H,2-10H2,1H3
InChIKeyNPSUAKWAUYLIAG-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide (CID 43654424) is 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide is CCN(C1CCCCC1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide?
The InChIKey is NPSUAKWAUYLIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-2-13(11-7-4-3-5-8-11)16(14,15)10-6-9-12/h11H,2-10H2,1H3.
What are the key properties of 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide?
3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 43654424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).