N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide

C17H17N3O3S — CID 42345508

IUPACN-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cn(C)nc1-c1ccccc1
InChIInChI=1S/C17H17N3O3S/c1-19-12-16(17(18-19)13-6-4-3-5-7-13)24(22,23)20(2)14-8-10-15(21)11-9-14/h3-12,21H,1-2H3
InChIKeyVJNUILRZVUUWLE-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.62
Rot. Bonds4

About N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide

N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42345508) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42345508
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cn(C)nc1-c1ccccc1
InChIInChI=1S/C17H17N3O3S/c1-19-12-16(17(18-19)13-6-4-3-5-7-13)24(22,23)20(2)14-8-10-15(21)11-9-14/h3-12,21H,1-2H3
InChIKeyVJNUILRZVUUWLE-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]phenol
CID 127050847
4-[3-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145967467
4-[3-(1,3-Diphenylpyrazol-4-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145976906
4-[2-(4-hydroxyphenyl)-4-propyl-1H-pyrazol-5-ylidene]-1-cyclohexa-2,5-dienone
CID 135925692
1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide
CID 100659456
4-[(3S)-3-(2-ethylpyrazol-3-yl)-5-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 100831323
2-fluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 67200381
4-[5-(4-Fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 135520112
N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
CID 171618026
3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 174411038
2-[5-(1,3-Diphenylpyrazol-4-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]phenol
CID 16336074
5-Phenyl-1,3,4-(p-hydroxyphenyl)pyrazole
CID 129791706

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide (CID 42345508) is N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1cn(C)nc1-c1ccccc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is VJNUILRZVUUWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-19-12-16(17(18-19)13-6-4-3-5-7-13)24(22,23)20(2)14-8-10-15(21)11-9-14/h3-12,21H,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide?
N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N,1-dimethyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42345508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).