1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine

C10H11ClF3NO2S2 — CID 4113022

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H11ClF3NO2S2/c11-8-3-4-9(18-8)19(16,17)15-5-1-2-7(6-15)10(12,13)14/h3-4,7H,1-2,5-6H2
InChIKeyFSKSLUOXVZPMFE-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.36
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine

1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 4113022) has the molecular formula C10H11ClF3NO2S2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID4113022
Molecular FormulaC10H11ClF3NO2S2
Molecular Weight333.78 g/mol
Exact Mass332.99
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H11ClF3NO2S2/c11-8-3-4-9(18-8)19(16,17)15-5-1-2-7(6-15)10(12,13)14/h3-4,7H,1-2,5-6H2
InChIKeyFSKSLUOXVZPMFE-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-[(4-methylpiperidyl)sulfonyl]thiophene
CID 5093213
2-Chloro-5-(piperidylsulfonyl)thiophene
CID 1541659
1-(5-Chloro-thiophene-2-sulfonyl)-3-methyl-piperidine
CID 2942730
1-(Thiophen-2-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 2929689
5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide
CID 4082154
5-chloro-N-((1-methylpiperidin-4-yl)methyl)thiophene-2-sulfonamide
CID 16887461
5-chloro-N-methyl-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide
CID 97261474
(3S)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 7064244
(3R)-1-thiophen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 7064245
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 7986198
(3R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 7986199
1-(5-Chlorothiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720678

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine (CID 4113022) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1ccc(Cl)s1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is FSKSLUOXVZPMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S2/c11-8-3-4-9(18-8)19(16,17)15-5-1-2-7(6-15)10(12,13)14/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 333.78 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 4113022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).