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

C19H21N5O3S — CID 71807952

IUPAC4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)16-8-6-15(7-9-16)19(25)21-12-14-24-13-10-18(22-24)17-5-3-4-11-20-17/h3-11,13H,12,14H2,1-2H3,(H,21,25)
InChIKeyAUHFBGLBNQCLLP-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.63
Rot. Bonds7

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

4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 71807952) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID71807952
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-23(2)28(26,27)16-8-6-15(7-9-16)19(25)21-12-14-24-13-10-18(22-24)17-5-3-4-11-20-17/h3-11,13H,12,14H2,1-2H3,(H,21,25)
InChIKeyAUHFBGLBNQCLLP-UHFFFAOYSA-N
XLogP1.63
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (CID 71807952) is 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is AUHFBGLBNQCLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-23(2)28(26,27)16-8-6-15(7-9-16)19(25)21-12-14-24-13-10-18(22-24)17-5-3-4-11-20-17/h3-11,13H,12,14H2,1-2H3,(H,21,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 71807952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).