3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C11H13F3N2O3S2 — CID 51338518

IUPAC3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H13F3N2O3S2/c12-11(13,14)7-15-10(17)9-8(3-6-20-9)21(18,19)16-4-1-2-5-16/h3,6H,1-2,4-5,7H2,(H,15,17)
InChIKeyLSPMXOGWRPMCTB-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.82
Rot. Bonds4

About 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 51338518) has the molecular formula C11H13F3N2O3S2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID51338518
Molecular FormulaC11H13F3N2O3S2
Molecular Weight342.36 g/mol
Exact Mass342.03
IUPAC Name3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H13F3N2O3S2/c12-11(13,14)7-15-10(17)9-8(3-6-20-9)21(18,19)16-4-1-2-5-16/h3,6H,1-2,4-5,7H2,(H,15,17)
InChIKeyLSPMXOGWRPMCTB-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 51338518) is 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is LSPMXOGWRPMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S2/c12-11(13,14)7-15-10(17)9-8(3-6-20-9)21(18,19)16-4-1-2-5-16/h3,6H,1-2,4-5,7H2,(H,15,17).
What are the key properties of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 51338518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).