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

C14H10FN3O2S3 — CID 55819750

IUPAC3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O2S3/c15-10-2-1-3-13(8-10)23(19,20)18-11-4-6-12(7-5-11)22-14-17-16-9-21-14/h1-9,18H
InChIKeyJROYQMNPNLPGFV-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.63
Rot. Bonds5

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

3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide (PubChem CID 55819750) has the molecular formula C14H10FN3O2S3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide
PubChem CID55819750
Molecular FormulaC14H10FN3O2S3
Molecular Weight367.45 g/mol
Exact Mass366.99
IUPAC Name3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O2S3/c15-10-2-1-3-13(8-10)23(19,20)18-11-4-6-12(7-5-11)22-14-17-16-9-21-14/h1-9,18H
InChIKeyJROYQMNPNLPGFV-UHFFFAOYSA-N
XLogP3.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide (CID 55819750) is 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
The InChIKey is JROYQMNPNLPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S3/c15-10-2-1-3-13(8-10)23(19,20)18-11-4-6-12(7-5-11)22-14-17-16-9-21-14/h1-9,18H.
What are the key properties of 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide?
3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide has a molecular weight of 367.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55819750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).