2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide

C12H14N4O3S — CID 63820783

IUPAC2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)n[nH]1
InChIInChI=1S/C12H14N4O3S/c1-7-3-4-9(6-10(7)12(13)17)20(18,19)16-11-5-8(2)14-15-11/h3-6H,1-2H3,(H2,13,17)(H2,14,15,16)
InChIKeyYLWQEKPNNPGTRU-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.93
Rot. Bonds4

About 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide

2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide (PubChem CID 63820783) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
PubChem CID63820783
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)n[nH]1
InChIInChI=1S/C12H14N4O3S/c1-7-3-4-9(6-10(7)12(13)17)20(18,19)16-11-5-8(2)14-15-11/h3-6H,1-2H3,(H2,13,17)(H2,14,15,16)
InChIKeyYLWQEKPNNPGTRU-UHFFFAOYSA-N
XLogP0.93
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259826
N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide
CID 63823163
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 63822247
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
2-methyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106920403
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259444
5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide
CID 66186326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
The IUPAC name of 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide (CID 63820783) is 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide is Cc1cc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)n[nH]1.
What is the InChIKey of 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
The InChIKey is YLWQEKPNNPGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7-3-4-9(6-10(7)12(13)17)20(18,19)16-11-5-8(2)14-15-11/h3-6H,1-2H3,(H2,13,17)(H2,14,15,16).
What are the key properties of 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide has a molecular weight of 294.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 63820783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).