2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine

C14H13F3N2O2S2 — CID 615168

IUPAC2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)ccn2)s1)N1CCCC1
InChIInChI=1S/C14H13F3N2O2S2/c15-14(16,17)10-5-6-18-11(9-10)12-3-4-13(22-12)23(20,21)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2
InChIKeyBOHUMZOCYHJQFN-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.61
Rot. Bonds3

About 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine

2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine (PubChem CID 615168) has the molecular formula C14H13F3N2O2S2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine
PubChem CID615168
Molecular FormulaC14H13F3N2O2S2
Molecular Weight362.40 g/mol
Exact Mass362.04
IUPAC Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)ccn2)s1)N1CCCC1
InChIInChI=1S/C14H13F3N2O2S2/c15-14(16,17)10-5-6-18-11(9-10)12-3-4-13(22-12)23(20,21)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2
InChIKeyBOHUMZOCYHJQFN-UHFFFAOYSA-N
XLogP3.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine (CID 615168) is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)ccn2)s1)N1CCCC1.
What is the InChIKey of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is BOHUMZOCYHJQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S2/c15-14(16,17)10-5-6-18-11(9-10)12-3-4-13(22-12)23(20,21)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2.
What are the key properties of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine?
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 362.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 615168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).