N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide

C11H13N3O3S — CID 43318275

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C11H13N3O3S/c1-8-7-11(14(2)12-8)13-18(16,17)10-5-3-9(15)4-6-10/h3-7,13,15H,1-2H3
InChIKeyLUOMKUPKOUYKSJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.23
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide

N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide (PubChem CID 43318275) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
PubChem CID43318275
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C11H13N3O3S/c1-8-7-11(14(2)12-8)13-18(16,17)10-5-3-9(15)4-6-10/h3-7,13,15H,1-2H3
InChIKeyLUOMKUPKOUYKSJ-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10519399
N-(2,5-dimethylpyrazol-3-yl)-4-phenoxybenzenesulfonamide
CID 172438777
N-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3688912
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-(3-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 64781666
N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 64789034
N-(5-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 64795138
4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 75520385
5-fluoro-N-(4-hydroxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 119056245
N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide
CID 146141109
3-(difluoromethoxy)-N-(5-ethyl-1-methylpyrazol-3-yl)benzenesulfonamide
CID 146143973
5-Fluoro-N~4~-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 155881847

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide (CID 43318275) is N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(O)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide?
The InChIKey is LUOMKUPKOUYKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-7-11(14(2)12-8)13-18(16,17)10-5-3-9(15)4-6-10/h3-7,13,15H,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 43318275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).