N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide

C9H9N3O3S — CID 60917040

IUPACN-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1cn[nH]c1
InChIInChI=1S/C9H9N3O3S/c13-9-4-2-1-3-8(9)12-16(14,15)7-5-10-11-6-7/h1-6,12-13H,(H,10,11)
InChIKeyAETROGNEPJGRNL-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.92
Rot. Bonds3

About N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide

N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60917040) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60917040
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC NameN-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1cn[nH]c1
InChIInChI=1S/C9H9N3O3S/c13-9-4-2-1-3-8(9)12-16(14,15)7-5-10-11-6-7/h1-6,12-13H,(H,10,11)
InChIKeyAETROGNEPJGRNL-UHFFFAOYSA-N
XLogP0.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936966
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274213
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 114764727
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 60917157
N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60916235
N-(2-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 61275577
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 54937391

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide (CID 60917040) is N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccccc1O)c1cn[nH]c1.
What is the InChIKey of N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AETROGNEPJGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c13-9-4-2-1-3-8(9)12-16(14,15)7-5-10-11-6-7/h1-6,12-13H,(H,10,11).
What are the key properties of N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 239.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60917040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).