2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide

C8H4FN5O2S2 — CID 114912639

IUPAC2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C8H4FN5O2S2/c9-6-2-1-3-7(5(6)4-10)18(15,16)12-8-11-13-14-17-8/h1-3H,(H,11,12,14)
InChIKeyGOQJVHLZBQQLKA-UHFFFAOYSA-N
MW285.29 g/mol
LogP0.74
Rot. Bonds3

About 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide

2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 114912639) has the molecular formula C8H4FN5O2S2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID114912639
Molecular FormulaC8H4FN5O2S2
Molecular Weight285.29 g/mol
Exact Mass284.98
IUPAC Name2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C8H4FN5O2S2/c9-6-2-1-3-7(5(6)4-10)18(15,16)12-8-11-13-14-17-8/h1-3H,(H,11,12,14)
InChIKeyGOQJVHLZBQQLKA-UHFFFAOYSA-N
XLogP0.74
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787114
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79041116
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
N-(3-amino-4-bromophenyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79753588
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 83016497
2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911766
5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
CID 103916474
2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 113318697

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide (CID 114912639) is 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)Nc1nnns1.
What is the InChIKey of 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is GOQJVHLZBQQLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN5O2S2/c9-6-2-1-3-7(5(6)4-10)18(15,16)12-8-11-13-14-17-8/h1-3H,(H,11,12,14).
What are the key properties of 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 285.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).