4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide

C20H41NO3S — CID 70217221

IUPAC4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide
SMILESCCCCCCCCCCCCC1CCC(S(=O)(=O)NCCO)CC1
InChIInChI=1S/C20H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)25(23,24)21-17-18-22/h19-22H,2-18H2,1H3
InChIKeyCNAOUAYMOFDWQC-UHFFFAOYSA-N
MW375.62 g/mol
LogP4.77
Rot. Bonds15

About 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide

4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide (PubChem CID 70217221) has the molecular formula C20H41NO3S and a molecular weight of 375.62 g/mol. Its IUPAC name is 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide.

Molecular Properties

Compound Name4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide
PubChem CID70217221
Molecular FormulaC20H41NO3S
Molecular Weight375.62 g/mol
Exact Mass375.28
IUPAC Name4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide
SMILESCCCCCCCCCCCCC1CCC(S(=O)(=O)NCCO)CC1
InChIInChI=1S/C20H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)25(23,24)21-17-18-22/h19-22H,2-18H2,1H3
InChIKeyCNAOUAYMOFDWQC-UHFFFAOYSA-N
XLogP4.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.62
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-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 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide?
The IUPAC name of 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide (CID 70217221) is 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide.
What is the SMILES notation for 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide?
The canonical SMILES for 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide is CCCCCCCCCCCCC1CCC(S(=O)(=O)NCCO)CC1.
What is the InChIKey of 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide?
The InChIKey is CNAOUAYMOFDWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)25(23,24)21-17-18-22/h19-22H,2-18H2,1H3.
What are the key properties of 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide?
4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide has a molecular weight of 375.62 g/mol, XLogP of 4.77, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide is sourced from PubChem (CID 70217221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).