N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H13N3O3S — CID 28785562

IUPACN-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H13N3O3S/c1-7-11(8(2)13-12-7)18(16,17)14-9-3-5-10(15)6-4-9/h3-6,14-15H,1-2H3,(H,12,13)
InChIKeyHZZFVIROGTUXNX-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.53
Rot. Bonds3

About N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 28785562) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID28785562
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H13N3O3S/c1-7-11(8(2)13-12-7)18(16,17)14-9-3-5-10(15)6-4-9/h3-6,14-15H,1-2H3,(H,12,13)
InChIKeyHZZFVIROGTUXNX-UHFFFAOYSA-N
XLogP1.53
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 112505341
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
3,5-dimethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]-1H-pyrazole-4-sulfonamide
CID 112982208
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985276
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 39837097

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 28785562) is N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HZZFVIROGTUXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-11(8(2)13-12-7)18(16,17)14-9-3-5-10(15)6-4-9/h3-6,14-15H,1-2H3,(H,12,13).
What are the key properties of N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 28785562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).