5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C14H8ClF2N3O2S3 — CID 56597763

IUPAC5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cc(Cl)c(Sc2ccccc2F)cc1F
InChIInChI=1S/C14H8ClF2N3O2S3/c15-8-5-13(25(21,22)20-14-19-18-7-23-14)10(17)6-12(8)24-11-4-2-1-3-9(11)16/h1-7H,(H,19,20)
InChIKeyXQUMEJVIGBHUSB-UHFFFAOYSA-N
MW419.89 g/mol
LogP4.42
Rot. Bonds5

About 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 56597763) has the molecular formula C14H8ClF2N3O2S3 and a molecular weight of 419.89 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID56597763
Molecular FormulaC14H8ClF2N3O2S3
Molecular Weight419.89 g/mol
Exact Mass418.94
IUPAC Name5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cc(Cl)c(Sc2ccccc2F)cc1F
InChIInChI=1S/C14H8ClF2N3O2S3/c15-8-5-13(25(21,22)20-14-19-18-7-23-14)10(17)6-12(8)24-11-4-2-1-3-9(11)16/h1-7H,(H,19,20)
InChIKeyXQUMEJVIGBHUSB-UHFFFAOYSA-N
XLogP4.42
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 56597763) is 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1cc(Cl)c(Sc2ccccc2F)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is XQUMEJVIGBHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O2S3/c15-8-5-13(25(21,22)20-14-19-18-7-23-14)10(17)6-12(8)24-11-4-2-1-3-9(11)16/h1-7H,(H,19,20).
What are the key properties of 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 419.89 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-(2-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 56597763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).