2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride

C7H2Cl3F3O2S — CID 2736869

IUPAC2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H
InChIKeyMRGIKDMKHORAMU-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.94
Rot. Bonds1

About 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride

2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 2736869) has the molecular formula C7H2Cl3F3O2S and a molecular weight of 313.51 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID2736869
Molecular FormulaC7H2Cl3F3O2S
Molecular Weight313.51 g/mol
Exact Mass311.88
IUPAC Name2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H
InChIKeyMRGIKDMKHORAMU-UHFFFAOYSA-N
XLogP3.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride (CID 2736869) is 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is MRGIKDMKHORAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H.
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride?
2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 313.51 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 2736869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).