4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide

C15H14N4O3S — CID 71578641

IUPAC4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccnc2)cc1
InChIInChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)
InChIKeyOXDZTUCLLJDORR-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.07
Rot. Bonds4

About 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide

4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide (PubChem CID 71578641) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
PubChem CID71578641
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccnc2)cc1
InChIInChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)
InChIKeyOXDZTUCLLJDORR-UHFFFAOYSA-N
XLogP1.07
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide (CID 71578641) is 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccnc2)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is OXDZTUCLLJDORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22).
What are the key properties of 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 71578641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).