4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C14H7F4N3O3S2 — CID 118342744

IUPAC4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C14H7F4N3O3S2/c15-7-1-8(16)3-9(2-7)24-12-4-11(18)13(5-10(12)17)26(22,23)21-14-19-6-20-25-14/h1-6H,(H,19,20,21)
InChIKeyCZQFWZAFZLZKCT-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.69
Rot. Bonds5

About 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 118342744) has the molecular formula C14H7F4N3O3S2 and a molecular weight of 405.35 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID118342744
Molecular FormulaC14H7F4N3O3S2
Molecular Weight405.35 g/mol
Exact Mass404.99
IUPAC Name4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C14H7F4N3O3S2/c15-7-1-8(16)3-9(2-7)24-12-4-11(18)13(5-10(12)17)26(22,23)21-14-19-6-20-25-14/h1-6H,(H,19,20,21)
InChIKeyCZQFWZAFZLZKCT-UHFFFAOYSA-N
XLogP3.69
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 118342744) is 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is CZQFWZAFZLZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N3O3S2/c15-7-1-8(16)3-9(2-7)24-12-4-11(18)13(5-10(12)17)26(22,23)21-14-19-6-20-25-14/h1-6H,(H,19,20,21).
What are the key properties of 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 405.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118342744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).