N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide

C13H24ClNO3S — CID 63396685

IUPACN-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H24ClNO3S/c14-8-9-15(12-4-2-1-3-5-12)19(16,17)13-6-10-18-11-7-13/h12-13H,1-11H2
InChIKeyMMYVPCMYHQPDLQ-UHFFFAOYSA-N
MW309.86 g/mol
LogP2.37
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide

N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide (PubChem CID 63396685) has the molecular formula C13H24ClNO3S and a molecular weight of 309.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide
PubChem CID63396685
Molecular FormulaC13H24ClNO3S
Molecular Weight309.86 g/mol
Exact Mass309.12
IUPAC NameN-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C13H24ClNO3S/c14-8-9-15(12-4-2-1-3-5-12)19(16,17)13-6-10-18-11-7-13/h12-13H,1-11H2
InChIKeyMMYVPCMYHQPDLQ-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide (CID 63396685) is N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide is O=S(=O)(C1CCOCC1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide?
The InChIKey is MMYVPCMYHQPDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO3S/c14-8-9-15(12-4-2-1-3-5-12)19(16,17)13-6-10-18-11-7-13/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide?
N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide has a molecular weight of 309.86 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyloxane-4-sulfonamide is sourced from PubChem (CID 63396685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).