4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride

C8H3Cl2F2NO3S — CID 118827927

IUPAC4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C8H3Cl2F2NO3S/c9-5-2-6(16-8(11)12)7(17(10,14)15)1-4(5)3-13/h1-2,8H
InChIKeyGJSPJKWGIVFZPA-UHFFFAOYSA-N
MW302.09 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride

4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 118827927) has the molecular formula C8H3Cl2F2NO3S and a molecular weight of 302.09 g/mol. Its IUPAC name is 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID118827927
Molecular FormulaC8H3Cl2F2NO3S
Molecular Weight302.09 g/mol
Exact Mass300.92
IUPAC Name4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C8H3Cl2F2NO3S/c9-5-2-6(16-8(11)12)7(17(10,14)15)1-4(5)3-13/h1-2,8H
InChIKeyGJSPJKWGIVFZPA-UHFFFAOYSA-N
XLogP2.74
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
CID 131498740
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
2-(aminomethyl)-5-cyano-4-(difluoromethoxy)benzenesulfonyl chloride
CID 131509861
2,5-dichloro-4-cyanobenzenesulfonyl chloride
CID 131168951
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2-(difluoromethoxy)-4-methyl-5-nitrobenzenesulfonyl chloride
CID 171027770
2-chloro-5-cyano-4-methylbenzenesulfonyl chloride
CID 130960866
3-cyano-4-(difluoromethoxy)-5-sulfanylbenzenesulfonyl chloride
CID 131264632
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855
2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131456111
4-bromo-5-cyano-2-methoxybenzenesulfonyl chloride
CID 118845593
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride (CID 118827927) is 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride is N#Cc1cc(S(=O)(=O)Cl)c(OC(F)F)cc1Cl.
What is the InChIKey of 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is GJSPJKWGIVFZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F2NO3S/c9-5-2-6(16-8(11)12)7(17(10,14)15)1-4(5)3-13/h1-2,8H.
What are the key properties of 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride?
4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride has a molecular weight of 302.09 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 118827927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).