2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide

C12H14N4O3S — CID 17371559

IUPAC2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H14N4O3S/c1-8-11(7-16(2)14-8)20(18,19)15-10-6-4-3-5-9(10)12(13)17/h3-7,15H,1-2H3,(H2,13,17)
InChIKeyORBNYHBJGBBLFE-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.63
Rot. Bonds4

About 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide

2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 17371559) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
PubChem CID17371559
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H14N4O3S/c1-8-11(7-16(2)14-8)20(18,19)15-10-6-4-3-5-9(10)12(13)17/h3-7,15H,1-2H3,(H2,13,17)
InChIKeyORBNYHBJGBBLFE-UHFFFAOYSA-N
XLogP0.63
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809611
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
CID 102807205
1,3-dimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
CID 17375852
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
CID 102807082
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
CID 91824586
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide (CID 17371559) is 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is ORBNYHBJGBBLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-11(7-16(2)14-8)20(18,19)15-10-6-4-3-5-9(10)12(13)17/h3-7,15H,1-2H3,(H2,13,17).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 294.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 17371559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).