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

C11H22ClNO2S — CID 63396864

IUPACN-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-10(2)16(14,15)13(9-8-12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeySJEYDNVYSPGJNB-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.60
Rot. Bonds5

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

N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide (PubChem CID 63396864) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide
PubChem CID63396864
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-10(2)16(14,15)13(9-8-12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeySJEYDNVYSPGJNB-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-2-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide (CID 63396864) is N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide?
The InChIKey is SJEYDNVYSPGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-10(2)16(14,15)13(9-8-12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide?
N-(2-chloroethyl)-N-cyclohexylpropane-2-sulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.60, 5 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-2-sulfonamide is sourced from PubChem (CID 63396864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).