N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide

C11H22ClNO4S2 — CID 55188208

IUPACN-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO4S2/c1-18(14,15)9-10-19(16,17)13(8-7-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeySVTBJIUYBBAWKG-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.23
Rot. Bonds7

About N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide

N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide (PubChem CID 55188208) has the molecular formula C11H22ClNO4S2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
PubChem CID55188208
Molecular FormulaC11H22ClNO4S2
Molecular Weight331.89 g/mol
Exact Mass331.07
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO4S2/c1-18(14,15)9-10-19(16,17)13(8-7-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeySVTBJIUYBBAWKG-UHFFFAOYSA-N
XLogP1.23
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 43654077
3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 43654418
3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide
CID 43654424
N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclohexanamine
CID 55182778
N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide
CID 55187273
N-(2-chloroethyl)-N-cyclohexylbutane-1-sulfonamide
CID 55188016
N-(2-chloroethyl)-N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 55234021
2-chloro-N-cyclohexyl-N-methylethanesulfonamide
CID 60722871
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine
CID 63386703
N-butyl-N-(2-chloroethyl)-1,1-dioxothiane-4-sulfonamide
CID 63396550
N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide
CID 63396557
N-(2-chloroethyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 63396558

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide (CID 55188208) is N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide?
The InChIKey is SVTBJIUYBBAWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO4S2/c1-18(14,15)9-10-19(16,17)13(8-7-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide?
N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide has a molecular weight of 331.89 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55188208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).