N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C13H17N3O4S — CID 60912107

IUPACN-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2cn[nH]c2C)cc1OC
InChIInChI=1S/C13H17N3O4S/c1-8-5-11(19-3)12(20-4)6-10(8)16-21(17,18)13-7-14-15-9(13)2/h5-7,16H,1-4H3,(H,14,15)
InChIKeyQNUDIFFQKXYEJU-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.84
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 60912107) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID60912107
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2cn[nH]c2C)cc1OC
InChIInChI=1S/C13H17N3O4S/c1-8-5-11(19-3)12(20-4)6-10(8)16-21(17,18)13-7-14-15-9(13)2/h5-7,16H,1-4H3,(H,14,15)
InChIKeyQNUDIFFQKXYEJU-UHFFFAOYSA-N
XLogP1.84
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26949766

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 60912107) is N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is COc1cc(C)c(NS(=O)(=O)c2cn[nH]c2C)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QNUDIFFQKXYEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-8-5-11(19-3)12(20-4)6-10(8)16-21(17,18)13-7-14-15-9(13)2/h5-7,16H,1-4H3,(H,14,15).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).