4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide

C19H21N5O3S — CID 71797644

IUPAC4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)16-9-7-14(8-10-16)19(25)21-13-15-12-18(24(3)22-15)17-6-4-5-11-20-17/h4-12H,13H2,1-3H3,(H,21,25)
InChIKeyFCJALLYUMUUVHE-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.66
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide (PubChem CID 71797644) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
PubChem CID71797644
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)16-9-7-14(8-10-16)19(25)21-13-15-12-18(24(3)22-15)17-6-4-5-11-20-17/h4-12H,13H2,1-3H3,(H,21,25)
InChIKeyFCJALLYUMUUVHE-UHFFFAOYSA-N
XLogP1.66
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Domatinostat
CID 15985904
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
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Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
(2R)-N-[(4-(18F)fluoro-2-pyridinyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 155521368
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945
1-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indazole-4-carboxamide
CID 44470374
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide (CID 71797644) is 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
The InChIKey is FCJALLYUMUUVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-23(2)28(26,27)16-9-7-14(8-10-16)19(25)21-13-15-12-18(24(3)22-15)17-6-4-5-11-20-17/h4-12H,13H2,1-3H3,(H,21,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71797644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).