2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride

C8H4Cl3F3O2S — CID 87679057

IUPAC2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESCc1cc(Cl)c(C(F)(F)F)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C8H4Cl3F3O2S/c1-3-2-4(9)5(8(12,13)14)6(10)7(3)17(11,15)16/h2H,1H3
InChIKeyLDHVRXSGVMDSPT-UHFFFAOYSA-N
MW327.54 g/mol
LogP4.25
Rot. Bonds1

About 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride

2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 87679057) has the molecular formula C8H4Cl3F3O2S and a molecular weight of 327.54 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID87679057
Molecular FormulaC8H4Cl3F3O2S
Molecular Weight327.54 g/mol
Exact Mass325.89
IUPAC Name2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESCc1cc(Cl)c(C(F)(F)F)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C8H4Cl3F3O2S/c1-3-2-4(9)5(8(12,13)14)6(10)7(3)17(11,15)16/h2H,1H3
InChIKeyLDHVRXSGVMDSPT-UHFFFAOYSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride (CID 87679057) is 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride is Cc1cc(Cl)c(C(F)(F)F)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is LDHVRXSGVMDSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3F3O2S/c1-3-2-4(9)5(8(12,13)14)6(10)7(3)17(11,15)16/h2H,1H3.
What are the key properties of 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride?
2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 327.54 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 87679057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).