N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

C21H26FNO3S — CID 135068629

IUPACN-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCCC(O)Cc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26FNO3S/c1-3-13-23(27(25,26)21-11-9-17(2)10-12-21)14-5-8-20(24)16-18-6-4-7-19(22)15-18/h3-4,6-7,9-12,15,20,24H,1,5,8,13-14,16H2,2H3
InChIKeySTEUDRMZLVQWAW-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.69
Rot. Bonds10

About N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 135068629) has the molecular formula C21H26FNO3S and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID135068629
Molecular FormulaC21H26FNO3S
Molecular Weight391.51 g/mol
Exact Mass391.16
IUPAC NameN-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCCC(O)Cc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26FNO3S/c1-3-13-23(27(25,26)21-11-9-17(2)10-12-21)14-5-8-20(24)16-18-6-4-7-19(22)15-18/h3-4,6-7,9-12,15,20,24H,1,5,8,13-14,16H2,2H3
InChIKeySTEUDRMZLVQWAW-UHFFFAOYSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide 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-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 135068629) is N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(CCCC(O)Cc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is STEUDRMZLVQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3S/c1-3-13-23(27(25,26)21-11-9-17(2)10-12-21)14-5-8-20(24)16-18-6-4-7-19(22)15-18/h3-4,6-7,9-12,15,20,24H,1,5,8,13-14,16H2,2H3.
What are the key properties of N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-4-hydroxypentyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 135068629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).