N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide

C10H11N3O3S — CID 54909805

IUPACN-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H11N3O3S/c1-7-3-2-4-9(14)10(7)13-17(15,16)8-5-11-12-6-8/h2-6,13-14H,1H3,(H,11,12)
InChIKeyOQAUNQHQYOIMCD-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.22
Rot. Bonds3

About N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide

N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54909805) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54909805
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H11N3O3S/c1-7-3-2-4-9(14)10(7)13-17(15,16)8-5-11-12-6-8/h2-6,13-14H,1H3,(H,11,12)
InChIKeyOQAUNQHQYOIMCD-UHFFFAOYSA-N
XLogP1.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.22
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-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267507
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 114764727
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916103
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 47267596
3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 54937391
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402
N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54937299

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 54909805) is N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1cccc(O)c1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OQAUNQHQYOIMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-3-2-4-9(14)10(7)13-17(15,16)8-5-11-12-6-8/h2-6,13-14H,1H3,(H,11,12).
What are the key properties of N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide?
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 253.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54909805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).