2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride

C8H3ClF3NO3S — CID 131525198

IUPAC2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H3ClF3NO3S/c9-17(14,15)7-2-1-6(3-5(7)4-13)16-8(10,11)12/h1-3H
InChIKeyJFSBASSFMQPKBY-UHFFFAOYSA-N
MW285.63 g/mol
LogP2.38
Rot. Bonds2

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

2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 131525198) has the molecular formula C8H3ClF3NO3S and a molecular weight of 285.63 g/mol. Its IUPAC name is 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID131525198
Molecular FormulaC8H3ClF3NO3S
Molecular Weight285.63 g/mol
Exact Mass284.95
IUPAC Name2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESN#Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H3ClF3NO3S/c9-17(14,15)7-2-1-6(3-5(7)4-13)16-8(10,11)12/h1-3H
InChIKeyJFSBASSFMQPKBY-UHFFFAOYSA-N
XLogP2.38
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride (CID 131525198) is 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride is N#Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is JFSBASSFMQPKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NO3S/c9-17(14,15)7-2-1-6(3-5(7)4-13)16-8(10,11)12/h1-3H.
What are the key properties of 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride?
2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 285.63 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 131525198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).