5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide

C10H12N4O3S — CID 107733444

IUPAC5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H12N4O3S/c1-14(7-3-2-4-8(15)5-7)18(16,17)9-6-12-13-10(9)11/h2-6,15H,1H3,(H3,11,12,13)
InChIKeyGTEGNGDVZSEEHT-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.52
Rot. Bonds3

About 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide

5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 107733444) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID107733444
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H12N4O3S/c1-14(7-3-2-4-8(15)5-7)18(16,17)9-6-12-13-10(9)11/h2-6,15H,1H3,(H3,11,12,13)
InChIKeyGTEGNGDVZSEEHT-UHFFFAOYSA-N
XLogP0.52
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide (CID 107733444) is 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide is CN(c1cccc(O)c1)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is GTEGNGDVZSEEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-14(7-3-2-4-8(15)5-7)18(16,17)9-6-12-13-10(9)11/h2-6,15H,1H3,(H3,11,12,13).
What are the key properties of 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107733444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).