N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide

C12H24ClNO3S — CID 63396945

IUPACN-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C12H24ClNO3S/c1-2-17-10-11-18(15,16)14(9-8-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyIXZCKRPTRHGPGL-UHFFFAOYSA-N
MW297.85 g/mol
LogP2.23
Rot. Bonds8

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

N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide (PubChem CID 63396945) has the molecular formula C12H24ClNO3S and a molecular weight of 297.85 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide
PubChem CID63396945
Molecular FormulaC12H24ClNO3S
Molecular Weight297.85 g/mol
Exact Mass297.12
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C12H24ClNO3S/c1-2-17-10-11-18(15,16)14(9-8-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyIXZCKRPTRHGPGL-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide
CID 43654424
N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide
CID 55186515
N-(2-chloroethyl)-N-pentan-3-yloxane-4-sulfonamide
CID 55186705
N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide
CID 55186706
N-(2-chloroethyl)-N-cyclohexyl-3-methoxypropane-1-sulfonamide
CID 55188015
N-(2-chloroethyl)-N-cyclohexylbutane-1-sulfonamide
CID 55188016
N-(2-chloroethyl)-N-cyclopentyl-3-methoxypropane-1-sulfonamide
CID 63396382
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide
CID 63396420
N-butyl-N-(2-chloroethyl)oxane-4-sulfonamide
CID 63396506
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
CID 63396598
4-Chloro-1-(2-ethoxyethylsulfonyl)piperidine
CID 63396672

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide (CID 63396945) is N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide?
The InChIKey is IXZCKRPTRHGPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3S/c1-2-17-10-11-18(15,16)14(9-8-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide?
N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide has a molecular weight of 297.85 g/mol, XLogP of 2.23, 8 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-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63396945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).