4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride

C8H3Cl2F2NO3S — CID 118844838

IUPAC4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1cc(Cl)cc(OC(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H3Cl2F2NO3S/c9-5-1-4(3-13)7(17(10,14)15)6(2-5)16-8(11)12/h1-2,8H
InChIKeyBKEPTRKSGOAXFS-UHFFFAOYSA-N
MW302.09 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride

4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 118844838) has the molecular formula C8H3Cl2F2NO3S and a molecular weight of 302.09 g/mol. Its IUPAC name is 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID118844838
Molecular FormulaC8H3Cl2F2NO3S
Molecular Weight302.09 g/mol
Exact Mass300.92
IUPAC Name4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1cc(Cl)cc(OC(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H3Cl2F2NO3S/c9-5-1-4(3-13)7(17(10,14)15)6(2-5)16-8(11)12/h1-2,8H
InChIKeyBKEPTRKSGOAXFS-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-Chloro-3-cyano-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 118799882
4-Chloro-5-cyano-2-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 118827927
4-Chloro-2-cyano-5-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 118850466
2-(Chloromethyl)-4-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
CID 131383514
4-(Chloromethyl)-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
CID 131427395
3-Chloro-6-cyano-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 131600362
4-(Chloromethyl)-2-cyano-6-(trifluoromethoxy)benzenesulfonyl chloride
CID 134628048
4-Chloro-2-cyano-6-methoxybenzene-1-sulfonyl chloride
CID 118800146
4-Chloro-2-cyano-6-hydroxybenzene-1-sulfonyl chloride
CID 118850932
2-Chloro-6-cyano-4-methoxybenzene-1-sulfonyl chloride
CID 131329844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride (CID 118844838) is 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride is N#Cc1cc(Cl)cc(OC(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is BKEPTRKSGOAXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F2NO3S/c9-5-1-4(3-13)7(17(10,14)15)6(2-5)16-8(11)12/h1-2,8H.
What are the key properties of 4-chloro-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride?
4-chloro-2-cyano-6-(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-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 118844838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).