4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide

C18H18FN3O3S — CID 15293125

IUPAC4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CCCO)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O3S/c19-14-5-3-13(4-6-14)18-12-15(2-1-11-23)21-22(18)16-7-9-17(10-8-16)26(20,24)25/h3-10,12,23H,1-2,11H2,(H2,20,24,25)
InChIKeyHUXWHUIRGULKHT-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.25
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 15293125) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID15293125
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CCCO)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O3S/c19-14-5-3-13(4-6-14)18-12-15(2-1-11-23)21-22(18)16-7-9-17(10-8-16)26(20,24)25/h3-10,12,23H,1-2,11H2,(H2,20,24,25)
InChIKeyHUXWHUIRGULKHT-UHFFFAOYSA-N
XLogP2.25
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide (CID 15293125) is 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CCCO)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HUXWHUIRGULKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-14-5-3-13(4-6-14)18-12-15(2-1-11-23)21-22(18)16-7-9-17(10-8-16)26(20,24)25/h3-10,12,23H,1-2,11H2,(H2,20,24,25).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15293125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).