4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide

C17H17N3O3S — CID 68819643

IUPAC4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-2-4-13(5-3-12)17-10-14(11-21)19-20(17)15-6-8-16(9-7-15)24(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
InChIKeySIRBZAXVIYKVEZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.99
Rot. Bonds4

About 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide

4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 68819643) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID68819643
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-2-4-13(5-3-12)17-10-14(11-21)19-20(17)15-6-8-16(9-7-15)24(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
InChIKeySIRBZAXVIYKVEZ-UHFFFAOYSA-N
XLogP1.99
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]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 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 68819643) is 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(CO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is SIRBZAXVIYKVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-2-4-13(5-3-12)17-10-14(11-21)19-20(17)15-6-8-16(9-7-15)24(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23).
What are the key properties of 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 68819643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).