2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide

C17H14F4N2O3S2 — CID 141436308

IUPAC2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)s1)c1ccccc1F
InChIInChI=1S/C17H14F4N2O3S2/c18-13-4-2-1-3-12(13)16(24)22-14-5-6-15(27-14)28(25,26)23-9-7-11(8-10-23)17(19,20)21/h1-7H,8-10H2,(H,22,24)
InChIKeyUZLDDMSKYHEZPQ-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.02
Rot. Bonds4

About 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide

2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide (PubChem CID 141436308) has the molecular formula C17H14F4N2O3S2 and a molecular weight of 434.44 g/mol. Its IUPAC name is 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide
PubChem CID141436308
Molecular FormulaC17H14F4N2O3S2
Molecular Weight434.44 g/mol
Exact Mass434.04
IUPAC Name2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)s1)c1ccccc1F
InChIInChI=1S/C17H14F4N2O3S2/c18-13-4-2-1-3-12(13)16(24)22-14-5-6-15(27-14)28(25,26)23-9-7-11(8-10-23)17(19,20)21/h1-7H,8-10H2,(H,22,24)
InChIKeyUZLDDMSKYHEZPQ-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide (CID 141436308) is 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)s1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide?
The InChIKey is UZLDDMSKYHEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O3S2/c18-13-4-2-1-3-12(13)16(24)22-14-5-6-15(27-14)28(25,26)23-9-7-11(8-10-23)17(19,20)21/h1-7H,8-10H2,(H,22,24).
What are the key properties of 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide?
2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 141436308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).