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

C14H8F3N3O3S2 — CID 118349130

IUPAC2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cccc(F)c2)cc1F
InChIInChI=1S/C14H8F3N3O3S2/c15-8-2-1-3-9(4-8)23-12-5-11(17)13(6-10(12)16)25(21,22)20-14-18-7-19-24-14/h1-7H,(H,18,19,20)
InChIKeyVYMHRJGNVGZWQN-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.55
Rot. Bonds5

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

2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 118349130) has the molecular formula C14H8F3N3O3S2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID118349130
Molecular FormulaC14H8F3N3O3S2
Molecular Weight387.36 g/mol
Exact Mass387.00
IUPAC Name2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cccc(F)c2)cc1F
InChIInChI=1S/C14H8F3N3O3S2/c15-8-2-1-3-9(4-8)23-12-5-11(17)13(6-10(12)16)25(21,22)20-14-18-7-19-24-14/h1-7H,(H,18,19,20)
InChIKeyVYMHRJGNVGZWQN-UHFFFAOYSA-N
XLogP3.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 118349130) is 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cccc(F)c2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is VYMHRJGNVGZWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3S2/c15-8-2-1-3-9(4-8)23-12-5-11(17)13(6-10(12)16)25(21,22)20-14-18-7-19-24-14/h1-7H,(H,18,19,20).
What are the key properties of 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 387.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118349130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).