4-chloro-2-cyanobenzenesulfonyl fluoride

C7H3ClFNO2S — CID 122236117

IUPAC4-chloro-2-cyanobenzenesulfonyl fluoride
SMILESN#Cc1cc(Cl)ccc1S(=O)(=O)F
InChIInChI=1S/C7H3ClFNO2S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-3H
InChIKeyWBFOJMYUYVCUNO-UHFFFAOYSA-N
MW219.62 g/mol
LogP1.87
Rot. Bonds1

About 4-chloro-2-cyanobenzenesulfonyl fluoride

4-chloro-2-cyanobenzenesulfonyl fluoride (PubChem CID 122236117) has the molecular formula C7H3ClFNO2S and a molecular weight of 219.62 g/mol. Its IUPAC name is 4-chloro-2-cyanobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-2-cyanobenzenesulfonyl fluoride
PubChem CID122236117
Molecular FormulaC7H3ClFNO2S
Molecular Weight219.62 g/mol
Exact Mass218.96
IUPAC Name4-chloro-2-cyanobenzenesulfonyl fluoride
SMILESN#Cc1cc(Cl)ccc1S(=O)(=O)F
InChIInChI=1S/C7H3ClFNO2S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-3H
InChIKeyWBFOJMYUYVCUNO-UHFFFAOYSA-N
XLogP1.87
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-cyanobenzenesulfonamide
CID 43243622
(3R)-4-(4-chloro-2-cyanophenoxy)-3-fluorobutane-1-sulfonic acid
CID 86628727
4-chloro-2-cyano-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 71997523
4-chloro-2-[(4-chloro-2-cyanophenyl)sulfonylcarbamoylamino]benzoic acid
CID 18971386
2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
CID 28542938
5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile
CID 89437028
5-chloro-2-(cyanomethyl)benzonitrile
CID 12668062
5-chloro-2-(difluoromethyl)benzonitrile
CID 117280914
5-[(2-amino-4-chlorophenyl)sulfonylmethyl]-2-fluorobenzonitrile
CID 107889459
2,4-dicyanobenzenesulfonyl chloride
CID 19612240
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
5-chloro-2-(3-methylsulfonylpropylamino)benzonitrile
CID 62492983

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyanobenzenesulfonyl fluoride?
The IUPAC name of 4-chloro-2-cyanobenzenesulfonyl fluoride (CID 122236117) is 4-chloro-2-cyanobenzenesulfonyl fluoride.
What is the SMILES notation for 4-chloro-2-cyanobenzenesulfonyl fluoride?
The canonical SMILES for 4-chloro-2-cyanobenzenesulfonyl fluoride is N#Cc1cc(Cl)ccc1S(=O)(=O)F.
What is the InChIKey of 4-chloro-2-cyanobenzenesulfonyl fluoride?
The InChIKey is WBFOJMYUYVCUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO2S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-3H.
What are the key properties of 4-chloro-2-cyanobenzenesulfonyl fluoride?
4-chloro-2-cyanobenzenesulfonyl fluoride has a molecular weight of 219.62 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyanobenzenesulfonyl fluoride is sourced from PubChem (CID 122236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).