2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide

C14H9F2N3O2S3 — CID 55820645

IUPAC2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H9F2N3O2S3/c15-9-1-6-12(16)13(7-9)24(20,21)19-10-2-4-11(5-3-10)23-14-18-17-8-22-14/h1-8,19H
InChIKeyJVLGRESQOGZCCP-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.77
Rot. Bonds5

About 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide

2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide (PubChem CID 55820645) has the molecular formula C14H9F2N3O2S3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide
PubChem CID55820645
Molecular FormulaC14H9F2N3O2S3
Molecular Weight385.44 g/mol
Exact Mass384.98
IUPAC Name2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H9F2N3O2S3/c15-9-1-6-12(16)13(7-9)24(20,21)19-10-2-4-11(5-3-10)23-14-18-17-8-22-14/h1-8,19H
InChIKeyJVLGRESQOGZCCP-UHFFFAOYSA-N
XLogP3.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide (CID 55820645) is 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
The InChIKey is JVLGRESQOGZCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2S3/c15-9-1-6-12(16)13(7-9)24(20,21)19-10-2-4-11(5-3-10)23-14-18-17-8-22-14/h1-8,19H.
What are the key properties of 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide has a molecular weight of 385.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55820645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).