4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide

C13H16N4O3S — CID 7638262

IUPAC4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H16N4O3S/c1-16(2)21(19,20)11-6-4-10(5-7-11)13(18)14-12-8-9-17(3)15-12/h4-9H,1-3H3,(H,14,15,18)
InChIKeyAOYZXXBNQVVBCE-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.92
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide

4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 7638262) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID7638262
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H16N4O3S/c1-16(2)21(19,20)11-6-4-10(5-7-11)13(18)14-12-8-9-17(3)15-12/h4-9H,1-3H3,(H,14,15,18)
InChIKeyAOYZXXBNQVVBCE-UHFFFAOYSA-N
XLogP0.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide (CID 7638262) is 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is AOYZXXBNQVVBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-16(2)21(19,20)11-6-4-10(5-7-11)13(18)14-12-8-9-17(3)15-12/h4-9H,1-3H3,(H,14,15,18).
What are the key properties of 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide?
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 7638262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).