6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride

C7H2Cl2FNO2S — CID 131057721

IUPAC6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H2Cl2FNO2S/c8-5-2-1-4(3-11)6(10)7(5)14(9,12)13/h1-2H
InChIKeyPAMWPBODNWERHI-UHFFFAOYSA-N
MW254.07 g/mol
LogP2.28
Rot. Bonds1

About 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride

6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride (PubChem CID 131057721) has the molecular formula C7H2Cl2FNO2S and a molecular weight of 254.07 g/mol. Its IUPAC name is 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
PubChem CID131057721
Molecular FormulaC7H2Cl2FNO2S
Molecular Weight254.07 g/mol
Exact Mass252.92
IUPAC Name6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H2Cl2FNO2S/c8-5-2-1-4(3-11)6(10)7(5)14(9,12)13/h1-2H
InChIKeyPAMWPBODNWERHI-UHFFFAOYSA-N
XLogP2.28
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-6-cyanobenzenesulfonyl chloride
CID 130785388
4-chloro-2,3-difluorobenzonitrile
CID 67940983
2,3-dibromo-6-cyanobenzenesulfonyl chloride
CID 131170016
4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
CID 118839285
6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
CID 131489420
2-bromo-4-chloro-3-fluorobenzonitrile
CID 89499906
4-cyano-3-fluorobenzenesulfonyl chloride
CID 55280880
4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 118844619
4-cyano-2-fluoro-3-(trifluoromethyl)benzenesulfonyl chloride
CID 118816589
2-chloro-4-cyano-6-fluorobenzenesulfonyl chloride
CID 130996596
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134
2-chlorobenzonitrile;sulfuryl dichloride
CID 157411242

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride (CID 131057721) is 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride is N#Cc1ccc(Cl)c(S(=O)(=O)Cl)c1F.
What is the InChIKey of 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride?
The InChIKey is PAMWPBODNWERHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FNO2S/c8-5-2-1-4(3-11)6(10)7(5)14(9,12)13/h1-2H.
What are the key properties of 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride?
6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride has a molecular weight of 254.07 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 131057721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).