4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride

C8H3ClF3NO3S — CID 131498740

IUPAC4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(OC(F)F)c(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C8H3ClF3NO3S/c9-17(14,15)7-2-5(10)4(3-13)1-6(7)16-8(11)12/h1-2,8H
InChIKeyRWEOCLUGAFYGKF-UHFFFAOYSA-N
MW285.63 g/mol
LogP2.23
Rot. Bonds3

About 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride

4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride (PubChem CID 131498740) has the molecular formula C8H3ClF3NO3S and a molecular weight of 285.63 g/mol. Its IUPAC name is 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
PubChem CID131498740
Molecular FormulaC8H3ClF3NO3S
Molecular Weight285.63 g/mol
Exact Mass284.95
IUPAC Name4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(OC(F)F)c(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C8H3ClF3NO3S/c9-17(14,15)7-2-5(10)4(3-13)1-6(7)16-8(11)12/h1-2,8H
InChIKeyRWEOCLUGAFYGKF-UHFFFAOYSA-N
XLogP2.23
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 118827927
2-(aminomethyl)-5-cyano-4-(difluoromethoxy)benzenesulfonyl chloride
CID 131509861
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
2-(difluoromethoxy)-4-methyl-5-nitrobenzenesulfonyl chloride
CID 171027770
4-cyano-2-(trifluoromethoxy)-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 118810474
3-cyano-4-(difluoromethoxy)-5-sulfanylbenzenesulfonyl chloride
CID 131264632
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855
4-cyano-5-iodo-2-methoxybenzenesulfonyl chloride
CID 118828012
ethyl 5-cyano-2-(difluoromethoxy)-4-fluorobenzoate
CID 134651468
4-cyano-5-methoxy-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 118839290
4-cyano-3-fluorobenzenesulfonyl chloride
CID 55280880

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride (CID 131498740) is 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride is N#Cc1cc(OC(F)F)c(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride?
The InChIKey is RWEOCLUGAFYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NO3S/c9-17(14,15)7-2-5(10)4(3-13)1-6(7)16-8(11)12/h1-2,8H.
What are the key properties of 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride?
4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride has a molecular weight of 285.63 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 131498740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).