4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C15H13N3O3S — CID 10519399

IUPAC4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O3S/c19-13-6-8-14(9-7-13)22(20,21)17-15-10-11-16-18(15)12-4-2-1-3-5-12/h1-11,17,19H
InChIKeyWXSPNBONESSMPB-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.38
Rot. Bonds4

About 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 10519399) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID10519399
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O3S/c19-13-6-8-14(9-7-13)22(20,21)17-15-10-11-16-18(15)12-4-2-1-3-5-12/h1-11,17,19H
InChIKeyWXSPNBONESSMPB-UHFFFAOYSA-N
XLogP2.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 10519399) is 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is WXSPNBONESSMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-13-6-8-14(9-7-13)22(20,21)17-15-10-11-16-18(15)12-4-2-1-3-5-12/h1-11,17,19H.
What are the key properties of 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10519399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).