2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

C10H7FN4O3S — CID 106399135

IUPAC2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C10H7FN4O3S/c11-8-2-1-3-9(7(8)4-12)19(16,17)14-5-10-13-6-18-15-10/h1-3,6,14H,5H2
InChIKeyHFNNTOILJZTSFU-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.56
Rot. Bonds4

About 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 106399135) has the molecular formula C10H7FN4O3S and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID106399135
Molecular FormulaC10H7FN4O3S
Molecular Weight282.26 g/mol
Exact Mass282.02
IUPAC Name2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C10H7FN4O3S/c11-8-2-1-3-9(7(8)4-12)19(16,17)14-5-10-13-6-18-15-10/h1-3,6,14H,5H2
InChIKeyHFNNTOILJZTSFU-UHFFFAOYSA-N
XLogP0.56
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
4-cyano-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399140
2,4-difluoro-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410999
2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
CID 115753532
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
5-amino-2,3-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392115
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
2-(aminomethyl)-5-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410838
2-cyano-3-fluoro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486680
5-amino-2-bromo-4-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392188

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 106399135) is 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is HFNNTOILJZTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3S/c11-8-2-1-3-9(7(8)4-12)19(16,17)14-5-10-13-6-18-15-10/h1-3,6,14H,5H2.
What are the key properties of 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 282.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106399135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).