4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide

C18H20N2O3S — CID 11559254

IUPAC4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c19-14-15-4-6-16(7-5-15)17-8-10-18(11-9-17)24(22,23)20-12-2-1-3-13-21/h4-11,20-21H,1-3,12-13H2
InChIKeyLYOQOZNVAOBMBO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.67
Rot. Bonds8

About 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide

4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 11559254) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
PubChem CID11559254
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c19-14-15-4-6-16(7-5-15)17-8-10-18(11-9-17)24(22,23)20-12-2-1-3-13-21/h4-11,20-21H,1-3,12-13H2
InChIKeyLYOQOZNVAOBMBO-UHFFFAOYSA-N
XLogP2.67
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide 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-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide (CID 11559254) is 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide is N#Cc1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is LYOQOZNVAOBMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c19-14-15-4-6-16(7-5-15)17-8-10-18(11-9-17)24(22,23)20-12-2-1-3-13-21/h4-11,20-21H,1-3,12-13H2.
What are the key properties of 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 11559254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).