3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide

C18H12F4N2O3S — CID 18754845

IUPAC3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H12F4N2O3S/c19-13-8-12(9-15(10-13)28(23,25)26)17-16(2-1-7-24-17)11-3-5-14(6-4-11)27-18(20,21)22/h1-10H,(H2,23,25,26)
InChIKeyQTYZCIHJWCDCHO-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.10
Rot. Bonds4

About 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide

3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 18754845) has the molecular formula C18H12F4N2O3S and a molecular weight of 412.36 g/mol. Its IUPAC name is 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
PubChem CID18754845
Molecular FormulaC18H12F4N2O3S
Molecular Weight412.36 g/mol
Exact Mass412.05
IUPAC Name3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H12F4N2O3S/c19-13-8-12(9-15(10-13)28(23,25)26)17-16(2-1-7-24-17)11-3-5-14(6-4-11)27-18(20,21)22/h1-10H,(H2,23,25,26)
InChIKeyQTYZCIHJWCDCHO-UHFFFAOYSA-N
XLogP4.10
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide (CID 18754845) is 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide is NS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is QTYZCIHJWCDCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O3S/c19-13-8-12(9-15(10-13)28(23,25)26)17-16(2-1-7-24-17)11-3-5-14(6-4-11)27-18(20,21)22/h1-10H,(H2,23,25,26).
What are the key properties of 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide?
3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 412.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 18754845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).