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

C15H16FNO3S — CID 39445529

IUPACN-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(CCCO)cc1
InChIInChI=1S/C15H16FNO3S/c16-13-5-7-14(8-6-13)17-21(19,20)15-9-3-12(4-10-15)2-1-11-18/h3-10,17-18H,1-2,11H2
InChIKeyBUDCVNNQIQUSNI-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.55
Rot. Bonds6

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

N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 39445529) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID39445529
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(CCCO)cc1
InChIInChI=1S/C15H16FNO3S/c16-13-5-7-14(8-6-13)17-21(19,20)15-9-3-12(4-10-15)2-1-11-18/h3-10,17-18H,1-2,11H2
InChIKeyBUDCVNNQIQUSNI-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide (CID 39445529) is N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(CCCO)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is BUDCVNNQIQUSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-13-5-7-14(8-6-13)17-21(19,20)15-9-3-12(4-10-15)2-1-11-18/h3-10,17-18H,1-2,11H2.
What are the key properties of N-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide?
N-(4-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-(4-fluorophenyl)-4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 39445529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).