N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide

C11H13N3O5S2 — CID 81421576

IUPACN-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2O)cn1
InChIInChI=1S/C11H13N3O5S2/c1-14-7-9(6-12-14)21(18,19)13-10-5-8(20(2,16)17)3-4-11(10)15/h3-7,13,15H,1-2H3
InChIKeyJKFCGPXFSIDZSY-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.33
Rot. Bonds4

About N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide

N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 81421576) has the molecular formula C11H13N3O5S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID81421576
Molecular FormulaC11H13N3O5S2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC NameN-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2O)cn1
InChIInChI=1S/C11H13N3O5S2/c1-14-7-9(6-12-14)21(18,19)13-10-5-8(20(2,16)17)3-4-11(10)15/h3-7,13,15H,1-2H3
InChIKeyJKFCGPXFSIDZSY-UHFFFAOYSA-N
XLogP0.33
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422171
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 47257775
N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide
CID 81434079
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide
CID 81434171
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061919
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 81421805

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide (CID 81421576) is N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2O)cn1.
What is the InChIKey of N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is JKFCGPXFSIDZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S2/c1-14-7-9(6-12-14)21(18,19)13-10-5-8(20(2,16)17)3-4-11(10)15/h3-7,13,15H,1-2H3.
What are the key properties of N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide?
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 81421576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).