4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C19H11ClF2N4O3S2 — CID 141441697

IUPAC4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccncc2)cc1F
InChIInChI=1S/C19H11ClF2N4O3S2/c20-12-1-2-16(13(7-12)11-3-5-23-6-4-11)29-17-8-15(22)18(9-14(17)21)31(27,28)26-19-24-10-25-30-19/h1-10H,(H,24,25,26)
InChIKeyATSWDMYNPLJWNU-UHFFFAOYSA-N
MW480.91 g/mol
LogP5.12
Rot. Bonds6

About 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 141441697) has the molecular formula C19H11ClF2N4O3S2 and a molecular weight of 480.91 g/mol. Its IUPAC name is 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID141441697
Molecular FormulaC19H11ClF2N4O3S2
Molecular Weight480.91 g/mol
Exact Mass479.99
IUPAC Name4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccncc2)cc1F
InChIInChI=1S/C19H11ClF2N4O3S2/c20-12-1-2-16(13(7-12)11-3-5-23-6-4-11)29-17-8-15(22)18(9-14(17)21)31(27,28)26-19-24-10-25-30-19/h1-10H,(H,24,25,26)
InChIKeyATSWDMYNPLJWNU-UHFFFAOYSA-N
XLogP5.12
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.91
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 141441697) is 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccncc2)cc1F.
What is the InChIKey of 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is ATSWDMYNPLJWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N4O3S2/c20-12-1-2-16(13(7-12)11-3-5-23-6-4-11)29-17-8-15(22)18(9-14(17)21)31(27,28)26-19-24-10-25-30-19/h1-10H,(H,24,25,26).
What are the key properties of 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 480.91 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 141441697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).