N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide

C11H22ClNO2S — CID 63396902

IUPACN-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-2-10-16(14,15)13(9-8-12)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyFANXIWUDZBDWKO-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.60
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide

N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide (PubChem CID 63396902) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide
PubChem CID63396902
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-2-10-16(14,15)13(9-8-12)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyFANXIWUDZBDWKO-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 N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide (CID 63396902) is N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide is CCCS(=O)(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide?
The InChIKey is FANXIWUDZBDWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-2-10-16(14,15)13(9-8-12)11-6-4-3-5-7-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide?
N-(2-chloroethyl)-N-cyclohexylpropane-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 N-(2-chloroethyl)-N-cyclohexylpropane-1-sulfonamide is sourced from PubChem (CID 63396902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).