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

C15H17N3O3S2 — CID 1158565

IUPAC4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-11-22-15)12-4-6-13(7-5-12)23(20,21)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2,(H,16,17,19)
InChIKeyVTRLQKGWRUUERL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.57
Rot. Bonds4

About 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1158565) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1158565
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-11-22-15)12-4-6-13(7-5-12)23(20,21)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2,(H,16,17,19)
InChIKeyVTRLQKGWRUUERL-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
(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
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
4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2549893
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-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1323359
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 1158565) is 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is VTRLQKGWRUUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-14(17-15-16-8-11-22-15)12-4-6-13(7-5-12)23(20,21)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2,(H,16,17,19).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-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 4-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1158565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).