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

C15H10F3N3O2S3 — CID 51118651

IUPACN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S3/c16-15(17,18)12-3-1-2-4-13(12)26(22,23)21-10-5-7-11(8-6-10)25-14-20-19-9-24-14/h1-9,21H
InChIKeyAWDBWFGTITVHLO-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.51
Rot. Bonds5

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

N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 51118651) has the molecular formula C15H10F3N3O2S3 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID51118651
Molecular FormulaC15H10F3N3O2S3
Molecular Weight417.46 g/mol
Exact Mass416.99
IUPAC NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S3/c16-15(17,18)12-3-1-2-4-13(12)26(22,23)21-10-5-7-11(8-6-10)25-14-20-19-9-24-14/h1-9,21H
InChIKeyAWDBWFGTITVHLO-UHFFFAOYSA-N
XLogP4.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 51118651) is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AWDBWFGTITVHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S3/c16-15(17,18)12-3-1-2-4-13(12)26(22,23)21-10-5-7-11(8-6-10)25-14-20-19-9-24-14/h1-9,21H.
What are the key properties of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 417.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51118651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).