N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide

C15H16FNO3S — CID 39445527

IUPACN-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(CCCO)cc1
InChIInChI=1S/C15H16FNO3S/c16-14-5-1-2-6-15(14)17-21(19,20)13-9-7-12(8-10-13)4-3-11-18/h1-2,5-10,17-18H,3-4,11H2
InChIKeyCQAICZHJMZAPRI-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.55
Rot. Bonds6

About N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide

N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 39445527) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID39445527
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(CCCO)cc1
InChIInChI=1S/C15H16FNO3S/c16-14-5-1-2-6-15(14)17-21(19,20)13-9-7-12(8-10-13)4-3-11-18/h1-2,5-10,17-18H,3-4,11H2
InChIKeyCQAICZHJMZAPRI-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-fluorophenyl)-4-(3-hydroxypropyl)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 N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide (CID 39445527) is N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1ccc(CCCO)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is CQAICZHJMZAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-14-5-1-2-6-15(14)17-21(19,20)13-9-7-12(8-10-13)4-3-11-18/h1-2,5-10,17-18H,3-4,11H2.
What are the key properties of N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 39445527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).