N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide

C13H24ClNO3S — CID 63396906

IUPACN-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H24ClNO3S/c14-8-9-15(12-5-2-1-3-6-12)19(16,17)11-13-7-4-10-18-13/h12-13H,1-11H2
InChIKeyCKDFOCNNKWXGHN-UHFFFAOYSA-N
MW309.86 g/mol
LogP2.37
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide

N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63396906) has the molecular formula C13H24ClNO3S and a molecular weight of 309.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63396906
Molecular FormulaC13H24ClNO3S
Molecular Weight309.86 g/mol
Exact Mass309.12
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H24ClNO3S/c14-8-9-15(12-5-2-1-3-6-12)19(16,17)11-13-7-4-10-18-13/h12-13H,1-11H2
InChIKeyCKDFOCNNKWXGHN-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55186126
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
2-(2-Chloroethyl)-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 55187458
N-(2-chloroethyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 55187831
N-(2-chloroethyl)-N-cyclohexyl-3-methoxypropane-1-sulfonamide
CID 55188015
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63396377
4-Chloro-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 63396670
N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide
CID 63396685
N-(2-chloroethyl)-N-cyclopentyloxane-4-sulfonamide
CID 63396940
N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide
CID 63396945
N-(2-chloroethyl)-N-cyclohexyl-2-methoxyethanesulfonamide
CID 63396946
N-(2-chloroethyl)-N-cyclopropyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397276

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide (CID 63396906) is N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is CKDFOCNNKWXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO3S/c14-8-9-15(12-5-2-1-3-6-12)19(16,17)11-13-7-4-10-18-13/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide?
N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 309.86 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63396906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).