N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide

C11H12ClN3O3S — CID 115663120

IUPACN-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
SMILESCc1cc(Cl)cc(NS(=O)(=O)c2ccnn2C)c1O
InChIInChI=1S/C11H12ClN3O3S/c1-7-5-8(12)6-9(11(7)16)14-19(17,18)10-3-4-13-15(10)2/h3-6,14,16H,1-2H3
InChIKeyJTYDJBNUUNBXQC-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.89
Rot. Bonds3

About N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide

N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 115663120) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
PubChem CID115663120
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC NameN-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
SMILESCc1cc(Cl)cc(NS(=O)(=O)c2ccnn2C)c1O
InChIInChI=1S/C11H12ClN3O3S/c1-7-5-8(12)6-9(11(7)16)14-19(17,18)10-3-4-13-15(10)2/h3-6,14,16H,1-2H3
InChIKeyJTYDJBNUUNBXQC-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid
CID 113483146
2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 115641165
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide
CID 115663122
N-(5-chloro-2-hydroxy-3-methylphenyl)azepane-1-sulfonamide
CID 115663123
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 104821297
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709797
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
N-[4-(1-hydroxyethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710143

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide (CID 115663120) is N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide is Cc1cc(Cl)cc(NS(=O)(=O)c2ccnn2C)c1O.
What is the InChIKey of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is JTYDJBNUUNBXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-7-5-8(12)6-9(11(7)16)14-19(17,18)10-3-4-13-15(10)2/h3-6,14,16H,1-2H3.
What are the key properties of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide?
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 115663120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).