3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide

C18H19N5O3S — CID 3906586

IUPAC3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O3S/c1-13-11-17(23(21-13)16-9-4-5-10-19-16)20-18(24)14-7-6-8-15(12-14)27(25,26)22(2)3/h4-12H,1-3H3,(H,20,24)
InChIKeyMTVPRYONWIWYGZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.08
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide

3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide (PubChem CID 3906586) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
PubChem CID3906586
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O3S/c1-13-11-17(23(21-13)16-9-4-5-10-19-16)20-18(24)14-7-6-8-15(12-14)27(25,26)22(2)3/h4-12H,1-3H3,(H,20,24)
InChIKeyMTVPRYONWIWYGZ-UHFFFAOYSA-N
XLogP2.08
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 10719336
2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 18549309
4-(azepan-1-ylsulfonyl)-N-(1-phenylpyrazol-3-yl)benzamide
CID 2308367
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 25110821
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methyl-5-(pyridin-3-ylsulfonylamino)pyrazole-4-carboxamide
CID 57394708
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135731907
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
1-(6-aminopyridin-3-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11762113

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide (CID 3906586) is 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n(-c2ccccn2)n1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
The InChIKey is MTVPRYONWIWYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-13-11-17(23(21-13)16-9-4-5-10-19-16)20-18(24)14-7-6-8-15(12-14)27(25,26)22(2)3/h4-12H,1-3H3,(H,20,24).
What are the key properties of 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide has a molecular weight of 385.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 3906586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).