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

C8H2Cl2F3NO3S — CID 118799882

IUPAC4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C8H2Cl2F3NO3S/c9-5-1-2-6(18(10,15)16)7(4(5)3-14)17-8(11,12)13/h1-2H
InChIKeyQBNNXGYYMLCDGV-UHFFFAOYSA-N
MW320.08 g/mol
LogP3.04
Rot. Bonds2

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

4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 118799882) has the molecular formula C8H2Cl2F3NO3S and a molecular weight of 320.08 g/mol. Its IUPAC name is 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID118799882
Molecular FormulaC8H2Cl2F3NO3S
Molecular Weight320.08 g/mol
Exact Mass318.91
IUPAC Name4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C8H2Cl2F3NO3S/c9-5-1-2-6(18(10,15)16)7(4(5)3-14)17-8(11,12)13/h1-2H
InChIKeyQBNNXGYYMLCDGV-UHFFFAOYSA-N
XLogP3.04
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 132203079
4-Chloro-5-cyano-2-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 118827927
4-Chloro-2-cyano-6-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 118844838
2-(3-Chloro-5-fluorophenoxy)-3-(difluoromethylsulfonyl)benzonitrile
CID 153951136
2-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride
CID 18508097
4-Chloro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 18782243
2-Chloro-3-cyano-4-methoxybenzenesulfonyl chloride
CID 21699222
2-(3-Chloro-2-cyanophenoxy)benzenesulfinate
CID 57277443
4-Chloro-3-cyano-2-hydroxybenzene-1-sulfonyl chloride
CID 118799842
4-Chloro-3-cyano-2-methoxybenzenesulfonyl chloride
CID 118844480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride (CID 118799882) is 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride is N#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1OC(F)(F)F.
What is the InChIKey of 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is QBNNXGYYMLCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F3NO3S/c9-5-1-2-6(18(10,15)16)7(4(5)3-14)17-8(11,12)13/h1-2H.
What are the key properties of 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride?
4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 320.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyano-2-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 118799882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).