3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C17H16N4O3S2 — CID 8924089

IUPAC3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H16N4O3S2/c1-21(2)26(23,24)13-7-5-6-12(10-13)16(22)20-17-19-15(11-25-17)14-8-3-4-9-18-14/h3-11H,1-2H3,(H,19,20,22)
InChIKeyHSPRVXYJJVPOOT-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.71
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 8924089) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID8924089
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H16N4O3S2/c1-21(2)26(23,24)13-7-5-6-12(10-13)16(22)20-17-19-15(11-25-17)14-8-3-4-9-18-14/h3-11H,1-2H3,(H,19,20,22)
InChIKeyHSPRVXYJJVPOOT-UHFFFAOYSA-N
XLogP2.71
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 8924089) is 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is HSPRVXYJJVPOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-21(2)26(23,24)13-7-5-6-12(10-13)16(22)20-17-19-15(11-25-17)14-8-3-4-9-18-14/h3-11H,1-2H3,(H,19,20,22).
What are the key properties of 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 8924089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).