3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide

C9H12FNO3S — CID 15707369

IUPAC3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCO)c(F)c1
InChIInChI=1S/C9H12FNO3S/c10-9-6-8(15(11,13)14)4-3-7(9)2-1-5-12/h3-4,6,12H,1-2,5H2,(H2,11,13,14)
InChIKeyCAGSSCDHIOFUQN-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.40
Rot. Bonds4

About 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide

3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 15707369) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID15707369
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCO)c(F)c1
InChIInChI=1S/C9H12FNO3S/c10-9-6-8(15(11,13)14)4-3-7(9)2-1-5-12/h3-4,6,12H,1-2,5H2,(H2,11,13,14)
InChIKeyCAGSSCDHIOFUQN-UHFFFAOYSA-N
XLogP0.40
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide (CID 15707369) is 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CCCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is CAGSSCDHIOFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c10-9-6-8(15(11,13)14)4-3-7(9)2-1-5-12/h3-4,6,12H,1-2,5H2,(H2,11,13,14).
What are the key properties of 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide?
3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 15707369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).