2-cyanobenzenesulfonyl fluoride

C7H4FNO2S — CID 19915317

IUPAC2-cyanobenzenesulfonyl fluoride
SMILESN#Cc1ccccc1S(=O)(=O)F
InChIInChI=1S/C7H4FNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H
InChIKeyQUTDICSOQYSJEE-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.22
Rot. Bonds1

About 2-cyanobenzenesulfonyl fluoride

2-cyanobenzenesulfonyl fluoride (PubChem CID 19915317) has the molecular formula C7H4FNO2S and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-cyanobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-cyanobenzenesulfonyl fluoride
PubChem CID19915317
Molecular FormulaC7H4FNO2S
Molecular Weight185.18 g/mol
Exact Mass184.99
IUPAC Name2-cyanobenzenesulfonyl fluoride
SMILESN#Cc1ccccc1S(=O)(=O)F
InChIInChI=1S/C7H4FNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H
InChIKeyQUTDICSOQYSJEE-UHFFFAOYSA-N
XLogP1.22
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

p-Cyanobenzenesulphonamide
CID 76566
4-Cyanobenzenesulfonyl chloride
CID 39497
3-Cyanobenzene-1-sulfonyl chloride
CID 2801360
2-cyano-N,N-dimethylbenzenesulfonamide
CID 697873
2-Cyanobenzenesulfonyl Chloride
CID 522347
4-Cyano-2-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 18072061
3-Cyanobenzene-1-sulfonamide
CID 2808718
2-Methylbenzenesulfonyl fluoride
CID 292589
2-Mercaptobenzonitrile
CID 11018926
(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride
CID 154716018
4-Cyanobenzene-1-sulfonyl fluoride
CID 85785717
4-Cyano-2-fluorobenzene-1-sulfonamide
CID 54594983

Frequently Asked Questions

What is the IUPAC name of 2-cyanobenzenesulfonyl fluoride?
The IUPAC name of 2-cyanobenzenesulfonyl fluoride (CID 19915317) is 2-cyanobenzenesulfonyl fluoride.
What is the SMILES notation for 2-cyanobenzenesulfonyl fluoride?
The canonical SMILES for 2-cyanobenzenesulfonyl fluoride is N#Cc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-cyanobenzenesulfonyl fluoride?
The InChIKey is QUTDICSOQYSJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H.
What are the key properties of 2-cyanobenzenesulfonyl fluoride?
2-cyanobenzenesulfonyl fluoride has a molecular weight of 185.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanobenzenesulfonyl fluoride is sourced from PubChem (CID 19915317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).