4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide

C15H17N3O4S2 — CID 122152547

IUPAC4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C15H17N3O4S2/c19-12-2-1-8-18(10-12)24(21,22)13-5-3-11(4-6-13)14(20)17-15-16-7-9-23-15/h3-7,9,12,19H,1-2,8,10H2,(H,16,17,20)
InChIKeyZCRGKEOKNAQYCE-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.54
Rot. Bonds4

About 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide

4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 122152547) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID122152547
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC Name4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C15H17N3O4S2/c19-12-2-1-8-18(10-12)24(21,22)13-5-3-11(4-6-13)14(20)17-15-16-7-9-23-15/h3-7,9,12,19H,1-2,8,10H2,(H,16,17,20)
InChIKeyZCRGKEOKNAQYCE-UHFFFAOYSA-N
XLogP1.54
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43073783
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5078395
N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
CID 97139801
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 652627
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 122152547) is 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZCRGKEOKNAQYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c19-12-2-1-8-18(10-12)24(21,22)13-5-3-11(4-6-13)14(20)17-15-16-7-9-23-15/h3-7,9,12,19H,1-2,8,10H2,(H,16,17,20).
What are the key properties of 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 122152547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).