4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

C19H21N5O3S — CID 119105098

IUPAC4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)18-6-4-15(5-7-18)19(25)21-10-14-8-16(11-20-9-14)17-12-22-24(3)13-17/h4-9,11-13H,10H2,1-3H3,(H,21,25)
InChIKeyVMMDFXDAJPQYTP-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.66
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 119105098) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID119105098
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)18-6-4-15(5-7-18)19(25)21-10-14-8-16(11-20-9-14)17-12-22-24(3)13-17/h4-9,11-13H,10H2,1-3H3,(H,21,25)
InChIKeyVMMDFXDAJPQYTP-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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 119105098) is 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is VMMDFXDAJPQYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-23(2)28(26,27)18-6-4-15(5-7-18)19(25)21-10-14-8-16(11-20-9-14)17-12-22-24(3)13-17/h4-9,11-13H,10H2,1-3H3,(H,21,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]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-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 119105098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).