3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride

C10H8ClF2NO3S — CID 131302281

IUPAC3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)Cl)c(OC(F)F)c1C#N
InChIInChI=1S/C10H8ClF2NO3S/c1-2-6-3-4-8(18(11,15)16)9(7(6)5-14)17-10(12)13/h3-4,10H,2H2,1H3
InChIKeyXGDVLXSPVYTKMP-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.65
Rot. Bonds4

About 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride

3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride (PubChem CID 131302281) has the molecular formula C10H8ClF2NO3S and a molecular weight of 295.69 g/mol. Its IUPAC name is 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride
PubChem CID131302281
Molecular FormulaC10H8ClF2NO3S
Molecular Weight295.69 g/mol
Exact Mass294.99
IUPAC Name3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)Cl)c(OC(F)F)c1C#N
InChIInChI=1S/C10H8ClF2NO3S/c1-2-6-3-4-8(18(11,15)16)9(7(6)5-14)17-10(12)13/h3-4,10H,2H2,1H3
InChIKeyXGDVLXSPVYTKMP-UHFFFAOYSA-N
XLogP2.65
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride
CID 131269960
2-cyano-4-ethyl-3-hydroxybenzenesulfonyl chloride
CID 131619507
2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride
CID 131371747
3-(bromomethyl)-2-cyano-4-ethylbenzenesulfonyl chloride
CID 131466813
3-(chloromethyl)-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
CID 131383512
6-(aminomethyl)-3-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 131508861
2-chloro-4-(chloromethyl)-3-cyanobenzenesulfonyl chloride
CID 131523717
5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride
CID 131607001
ethyl 2-[2-cyano-3-(difluoromethoxy)-4-iodophenyl]acetate
CID 134653910
2-(difluoromethoxy)-4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 172968862
2-cyano-3-ethyl-6-formylbenzenesulfonyl chloride
CID 131610534
ethyl 2-[2-cyano-3-(difluoromethoxy)-4-formylphenyl]acetate
CID 134653788

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride?
The IUPAC name of 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride (CID 131302281) is 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride?
The canonical SMILES for 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride is CCc1ccc(S(=O)(=O)Cl)c(OC(F)F)c1C#N.
What is the InChIKey of 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride?
The InChIKey is XGDVLXSPVYTKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3S/c1-2-6-3-4-8(18(11,15)16)9(7(6)5-14)17-10(12)13/h3-4,10H,2H2,1H3.
What are the key properties of 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride?
3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride has a molecular weight of 295.69 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 131302281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).