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

C10H11N3O4S — CID 114764727

IUPACN-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H11N3O4S/c1-17-9-4-2-3-8(14)10(9)13-18(15,16)7-5-11-12-6-7/h2-6,13-14H,1H3,(H,11,12)
InChIKeyMNWQUKAYEOBXGC-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.92
Rot. Bonds4

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

N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 114764727) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID114764727
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC NameN-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H11N3O4S/c1-17-9-4-2-3-8(14)10(9)13-18(15,16)7-5-11-12-6-7/h2-6,13-14H,1H3,(H,11,12)
InChIKeyMNWQUKAYEOBXGC-UHFFFAOYSA-N
XLogP0.92
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide
CID 107469796
4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764808
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267507
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764767
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide (CID 114764727) is N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide is COc1cccc(O)c1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MNWQUKAYEOBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-17-9-4-2-3-8(14)10(9)13-18(15,16)7-5-11-12-6-7/h2-6,13-14H,1H3,(H,11,12).
What are the key properties of N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 269.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114764727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).