4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C19H12F3N5O3S2 — CID 71718112

IUPAC4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1
InChIInChI=1S/C19H12F3N5O3S2/c20-11-1-2-15(12(6-11)10-3-4-24-18(23)5-10)30-16-7-14(22)17(8-13(16)21)32(28,29)27-19-25-9-26-31-19/h1-9H,(H2,23,24)(H,25,26,27)
InChIKeyGKTIKORAIATFBH-UHFFFAOYSA-N
MW479.47 g/mol
LogP4.19
Rot. Bonds6

About 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71718112) has the molecular formula C19H12F3N5O3S2 and a molecular weight of 479.47 g/mol. Its IUPAC name is 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71718112
Molecular FormulaC19H12F3N5O3S2
Molecular Weight479.47 g/mol
Exact Mass479.03
IUPAC Name4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1
InChIInChI=1S/C19H12F3N5O3S2/c20-11-1-2-15(12(6-11)10-3-4-24-18(23)5-10)30-16-7-14(22)17(8-13(16)21)32(28,29)27-19-25-9-26-31-19/h1-9H,(H2,23,24)(H,25,26,27)
InChIKeyGKTIKORAIATFBH-UHFFFAOYSA-N
XLogP4.19
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71718112) is 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1.
What is the InChIKey of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is GKTIKORAIATFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O3S2/c20-11-1-2-15(12(6-11)10-3-4-24-18(23)5-10)30-16-7-14(22)17(8-13(16)21)32(28,29)27-19-25-9-26-31-19/h1-9H,(H2,23,24)(H,25,26,27).
What are the key properties of 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 479.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71718112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).