3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C9H5FN4O2S2 — CID 58042302

IUPAC3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1F
InChIInChI=1S/C9H5FN4O2S2/c10-8-2-1-7(3-6(8)4-11)18(15,16)14-9-12-5-13-17-9/h1-3,5H,(H,12,13,14)
InChIKeyWSEFNWFOCLULGP-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.35
Rot. Bonds3

About 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 58042302) has the molecular formula C9H5FN4O2S2 and a molecular weight of 284.30 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID58042302
Molecular FormulaC9H5FN4O2S2
Molecular Weight284.30 g/mol
Exact Mass283.98
IUPAC Name3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1F
InChIInChI=1S/C9H5FN4O2S2/c10-8-2-1-7(3-6(8)4-11)18(15,16)14-9-12-5-13-17-9/h1-3,5H,(H,12,13,14)
InChIKeyWSEFNWFOCLULGP-UHFFFAOYSA-N
XLogP1.35
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 58042302) is 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is WSEFNWFOCLULGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4O2S2/c10-8-2-1-7(3-6(8)4-11)18(15,16)14-9-12-5-13-17-9/h1-3,5H,(H,12,13,14).
What are the key properties of 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 284.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 58042302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).