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

C14H7ClF3N3O2S3 — CID 56597765

IUPAC5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cc(Cl)c(Sc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C14H7ClF3N3O2S3/c15-8-4-13(26(22,23)21-14-20-19-6-24-14)11(18)5-12(8)25-7-1-2-9(16)10(17)3-7/h1-6H,(H,20,21)
InChIKeyFMNPHYSDROQTDZ-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.56
Rot. Bonds5

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

5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 56597765) has the molecular formula C14H7ClF3N3O2S3 and a molecular weight of 437.88 g/mol. Its IUPAC name is 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID56597765
Molecular FormulaC14H7ClF3N3O2S3
Molecular Weight437.88 g/mol
Exact Mass436.93
IUPAC Name5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cc(Cl)c(Sc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C14H7ClF3N3O2S3/c15-8-4-13(26(22,23)21-14-20-19-6-24-14)11(18)5-12(8)25-7-1-2-9(16)10(17)3-7/h1-6H,(H,20,21)
InChIKeyFMNPHYSDROQTDZ-UHFFFAOYSA-N
XLogP4.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 56597765) is 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1cc(Cl)c(Sc2ccc(F)c(F)c2)cc1F.
What is the InChIKey of 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is FMNPHYSDROQTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O2S3/c15-8-4-13(26(22,23)21-14-20-19-6-24-14)11(18)5-12(8)25-7-1-2-9(16)10(17)3-7/h1-6H,(H,20,21).
What are the key properties of 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 437.88 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,4-difluorophenyl)sulfanyl-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 56597765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).