N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide

C16H15N3O3S — CID 154700012

IUPACN-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12-2-8-15(9-3-12)23(21,22)18-16-10-11-17-19(16)13-4-6-14(20)7-5-13/h2-11,18,20H,1H3
InChIKeyVESXFLZNMRMCLI-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide

N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 154700012) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
PubChem CID154700012
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12-2-8-15(9-3-12)23(21,22)18-16-10-11-17-19(16)13-4-6-14(20)7-5-13/h2-11,18,20H,1H3
InChIKeyVESXFLZNMRMCLI-UHFFFAOYSA-N
XLogP2.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide (CID 154700012) is N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(O)cc2)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is VESXFLZNMRMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-12-2-8-15(9-3-12)23(21,22)18-16-10-11-17-19(16)13-4-6-14(20)7-5-13/h2-11,18,20H,1H3.
What are the key properties of N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 154700012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).