1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide

C18H19N3O3S — CID 42283017

IUPAC1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-18(13-21(19-14)12-15-6-4-3-5-7-15)25(23,24)20(2)16-8-10-17(22)11-9-16/h3-11,13,22H,12H2,1-2H3
InChIKeyTXPQRQICTRGXKI-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.77
Rot. Bonds5

About 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide

1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide (PubChem CID 42283017) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide
PubChem CID42283017
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-18(13-21(19-14)12-15-6-4-3-5-7-15)25(23,24)20(2)16-8-10-17(22)11-9-16/h3-11,13,22H,12H2,1-2H3
InChIKeyTXPQRQICTRGXKI-UHFFFAOYSA-N
XLogP2.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide 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 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide (CID 42283017) is 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide is Cc1nn(Cc2ccccc2)cc1S(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is TXPQRQICTRGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-18(13-21(19-14)12-15-6-4-3-5-7-15)25(23,24)20(2)16-8-10-17(22)11-9-16/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide?
1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).