4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride

C8H2ClF4NO3S — CID 118844619

IUPAC4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(OC(F)(F)F)c1F
InChIInChI=1S/C8H2ClF4NO3S/c9-18(15,16)5-2-1-4(3-14)6(10)7(5)17-8(11,12)13/h1-2H
InChIKeyTXNGYQGGXJWCOB-UHFFFAOYSA-N
MW303.62 g/mol
LogP2.52
Rot. Bonds2

About 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride

4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 118844619) has the molecular formula C8H2ClF4NO3S and a molecular weight of 303.62 g/mol. Its IUPAC name is 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID118844619
Molecular FormulaC8H2ClF4NO3S
Molecular Weight303.62 g/mol
Exact Mass302.94
IUPAC Name4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(OC(F)(F)F)c1F
InChIInChI=1S/C8H2ClF4NO3S/c9-18(15,16)5-2-1-4(3-14)6(10)7(5)17-8(11,12)13/h1-2H
InChIKeyTXNGYQGGXJWCOB-UHFFFAOYSA-N
XLogP2.52
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.62
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 118849874
4-cyano-3-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
CID 118839285
4-cyano-2-fluoro-3-(trifluoromethyl)benzenesulfonyl chloride
CID 118816589
4-cyano-2-methoxy-3-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 118827909
4-cyano-5-methoxy-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 118839290
4-cyano-2-methoxy-3-methylbenzenesulfonyl chloride
CID 118850184
2-cyano-4-methyl-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 131530307
2,3-difluoro-4-methylsulfonylbenzonitrile
CID 117308866
4-(aminomethyl)-5-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 118817469
4-ethyl-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969662
3-bromo-4-cyano-2-(trifluoromethyl)benzenesulfonyl chloride
CID 131414611
2-bromo-4-cyano-3-(trifluoromethyl)benzenesulfonyl chloride
CID 131414583

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride (CID 118844619) is 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride is N#Cc1ccc(S(=O)(=O)Cl)c(OC(F)(F)F)c1F.
What is the InChIKey of 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is TXNGYQGGXJWCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF4NO3S/c9-18(15,16)5-2-1-4(3-14)6(10)7(5)17-8(11,12)13/h1-2H.
What are the key properties of 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride?
4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 303.62 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 118844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).