1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide

C10H7F3N2O3S2 — CID 69020668

IUPAC1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide
SMILESO=S(=O)(Nc1ccncc1Oc1cccs1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O3S2/c11-10(12,13)20(16,17)15-7-3-4-14-6-8(7)18-9-2-1-5-19-9/h1-6H,(H,14,15)
InChIKeySNMHQSUPZRFSGY-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.20
Rot. Bonds4

About 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide

1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide (PubChem CID 69020668) has the molecular formula C10H7F3N2O3S2 and a molecular weight of 324.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide
PubChem CID69020668
Molecular FormulaC10H7F3N2O3S2
Molecular Weight324.31 g/mol
Exact Mass323.99
IUPAC Name1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide
SMILESO=S(=O)(Nc1ccncc1Oc1cccs1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O3S2/c11-10(12,13)20(16,17)15-7-3-4-14-6-8(7)18-9-2-1-5-19-9/h1-6H,(H,14,15)
InChIKeySNMHQSUPZRFSGY-UHFFFAOYSA-N
XLogP3.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide (CID 69020668) is 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide is O=S(=O)(Nc1ccncc1Oc1cccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide?
The InChIKey is SNMHQSUPZRFSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S2/c11-10(12,13)20(16,17)15-7-3-4-14-6-8(7)18-9-2-1-5-19-9/h1-6H,(H,14,15).
What are the key properties of 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide has a molecular weight of 324.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide is sourced from PubChem (CID 69020668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).