3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

C15H17N3O3S2 — CID 1101752

IUPAC3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-7-10-22-15)12-5-4-6-13(11-12)23(20,21)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,16,17,19)
InChIKeyJYXYORMUHPDZOG-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.57
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1101752) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1101752
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-7-10-22-15)12-5-4-6-13(11-12)23(20,21)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,16,17,19)
InChIKeyJYXYORMUHPDZOG-UHFFFAOYSA-N
XLogP2.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2463702
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
2-chloro-5-(morpholin-4-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
CID 1102161
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
(E)-3-cycloheptyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10111868
(E)-3-cyclooctyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10159013
(E)-4-cyclopentyl-2-(4-methanesulfonyl-phenyl)-but-2-enoic acid thiazol-2-ylamide
CID 10271714

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 1101752) is 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JYXYORMUHPDZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-14(17-15-16-7-10-22-15)12-5-4-6-13(11-12)23(20,21)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,16,17,19).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1101752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).