3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide

C19H15F3N2O5S — CID 55711975

IUPAC3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15F3N2O5S/c20-19(21,22)12-29-16-7-6-14(10-23-16)24-18(25)17-13(8-9-28-17)11-30(26,27)15-4-2-1-3-5-15/h1-10H,11-12H2,(H,24,25)
InChIKeyYHWGZAAOPMZKCU-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.84
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide (PubChem CID 55711975) has the molecular formula C19H15F3N2O5S and a molecular weight of 440.40 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
PubChem CID55711975
Molecular FormulaC19H15F3N2O5S
Molecular Weight440.40 g/mol
Exact Mass440.07
IUPAC Name3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15F3N2O5S/c20-19(21,22)12-29-16-7-6-14(10-23-16)24-18(25)17-13(8-9-28-17)11-30(26,27)15-4-2-1-3-5-15/h1-10H,11-12H2,(H,24,25)
InChIKeyYHWGZAAOPMZKCU-UHFFFAOYSA-N
XLogP3.84
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712137
4-methyl-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 46470345
3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 56552534
N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705667
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677
4-(1,3-oxazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55836609
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
2-(2-cyanophenyl)sulfanyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55714925
5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 56579205
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 136520401

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide (CID 55711975) is 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is YHWGZAAOPMZKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O5S/c20-19(21,22)12-29-16-7-6-14(10-23-16)24-18(25)17-13(8-9-28-17)11-30(26,27)15-4-2-1-3-5-15/h1-10H,11-12H2,(H,24,25).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 440.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 55711975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).