2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H18ClN3O3S2 — CID 16826821

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C16H18ClN3O3S2/c17-12-4-6-14(7-5-12)25(22,23)20-9-2-1-3-13(20)11-15(21)19-16-18-8-10-24-16/h4-8,10,13H,1-3,9,11H2,(H,18,19,21)
InChIKeyVSDUTPNJXJOMBB-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.37
Rot. Bonds5

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 16826821) has the molecular formula C16H18ClN3O3S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID16826821
Molecular FormulaC16H18ClN3O3S2
Molecular Weight399.93 g/mol
Exact Mass399.05
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C16H18ClN3O3S2/c17-12-4-6-14(7-5-12)25(22,23)20-9-2-1-3-13(20)11-15(21)19-16-18-8-10-24-16/h4-8,10,13H,1-3,9,11H2,(H,18,19,21)
InChIKeyVSDUTPNJXJOMBB-UHFFFAOYSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 1538492
(2S)-2-[4-(3-chlorophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25071203
1-(4-chlorophenyl)sulfonyl-N-(2-thiazolyl)-1-cyclopropanecarboxamide
CID 3238197
3-(4-chlorobenzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
CID 7254312
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822129
4-[(4-Chloro-benzenesulfonyl)-methyl-amino]-N-thiazol-2-yl-butyramide
CID 2054430
1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2110724
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2490994
1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 3000044
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 4539654
1-[(4-chlorophenyl)sulfonyl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919434
Butanoic acid, 4-oxo-4-(2-thiazolylamino)-, 2-((4-chlorophenyl)sulfonyl)hydrazide
CID 3079258

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 16826821) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VSDUTPNJXJOMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S2/c17-12-4-6-14(7-5-12)25(22,23)20-9-2-1-3-13(20)11-15(21)19-16-18-8-10-24-16/h4-8,10,13H,1-3,9,11H2,(H,18,19,21).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 399.93 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16826821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).