N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide

C11H13N3O3S — CID 102692966

IUPACN-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccn[nH]2)c(C)c1
InChIInChI=1S/C11H13N3O3S/c1-8-7-9(17-2)3-4-10(8)14-18(15,16)11-5-6-12-13-11/h3-7,14H,1-2H3,(H,12,13)
InChIKeyNLASEOVLIATEDZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.53
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide

N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692966) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692966
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccn[nH]2)c(C)c1
InChIInChI=1S/C11H13N3O3S/c1-8-7-9(17-2)3-4-10(8)14-18(15,16)11-5-6-12-13-11/h3-7,14H,1-2H3,(H,12,13)
InChIKeyNLASEOVLIATEDZ-UHFFFAOYSA-N
XLogP1.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
CID 102693349
N-(4-methoxy-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 62873560
N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102693886
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691391

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide (CID 102692966) is N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccn[nH]2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is NLASEOVLIATEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-7-9(17-2)3-4-10(8)14-18(15,16)11-5-6-12-13-11/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide?
N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).