N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide

C17H17N3O3S — CID 51093676

IUPACN-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)c1O
InChIInChI=1S/C17H17N3O3S/c1-12-8-9-16(13(2)17(12)21)19-24(22,23)15-10-18-20(11-15)14-6-4-3-5-7-14/h3-11,19,21H,1-2H3
InChIKeyDOTMSBSULIGBIW-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.00
Rot. Bonds4

About N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide

N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 51093676) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID51093676
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)c1O
InChIInChI=1S/C17H17N3O3S/c1-12-8-9-16(13(2)17(12)21)19-24(22,23)15-10-18-20(11-15)14-6-4-3-5-7-14/h3-11,19,21H,1-2H3
InChIKeyDOTMSBSULIGBIW-UHFFFAOYSA-N
XLogP3.00
TPSA84.22 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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 166198354
N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 75522425
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093668
N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 49188729
1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120716213
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16606761
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688083

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide (CID 51093676) is N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)c1O.
What is the InChIKey of N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is DOTMSBSULIGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-8-9-16(13(2)17(12)21)19-24(22,23)15-10-18-20(11-15)14-6-4-3-5-7-14/h3-11,19,21H,1-2H3.
What are the key properties of N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 51093676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).