2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

C13H16N4O3S — CID 61129233

IUPAC2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nn(C)cc2S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H16N4O3S/c1-8-4-5-10(9(2)6-8)13(18)15-12-11(21(14,19)20)7-17(3)16-12/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18)
InChIKeyIOZUEPHCUMSIIU-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.94
Rot. Bonds3

About 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (PubChem CID 61129233) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
PubChem CID61129233
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nn(C)cc2S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H16N4O3S/c1-8-4-5-10(9(2)6-8)13(18)15-12-11(21(14,19)20)7-17(3)16-12/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18)
InChIKeyIOZUEPHCUMSIIU-UHFFFAOYSA-N
XLogP0.94
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 81111625
2,4-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129231
2-methoxy-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129046
1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132750
2-chloro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 106689384
5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,2-oxazole-4-carboxamide
CID 61131374
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 61131275
3-methoxy-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 105064336
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (CID 61129233) is 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2nn(C)cc2S(N)(=O)=O)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The InChIKey is IOZUEPHCUMSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-4-5-10(9(2)6-8)13(18)15-12-11(21(14,19)20)7-17(3)16-12/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18).
What are the key properties of 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is sourced from PubChem (CID 61129233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).