2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride

C14H8ClF3O3S — CID 159729572

IUPAC2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=C(c1ccccc1)c1c(C(F)(F)F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C14H8ClF3O3S/c15-22(20,21)11-8-4-7-10(14(16,17)18)12(11)13(19)9-5-2-1-3-6-9/h1-8H
InChIKeyNBBLCQJQPQELAJ-UHFFFAOYSA-N
MW348.73 g/mol
LogP3.86
Rot. Bonds3

About 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride

2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 159729572) has the molecular formula C14H8ClF3O3S and a molecular weight of 348.73 g/mol. Its IUPAC name is 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID159729572
Molecular FormulaC14H8ClF3O3S
Molecular Weight348.73 g/mol
Exact Mass347.98
IUPAC Name2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=C(c1ccccc1)c1c(C(F)(F)F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C14H8ClF3O3S/c15-22(20,21)11-8-4-7-10(14(16,17)18)12(11)13(19)9-5-2-1-3-6-9/h1-8H
InChIKeyNBBLCQJQPQELAJ-UHFFFAOYSA-N
XLogP3.86
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.73
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzoyl-3-chlorobenzenesulfonyl chloride
CID 154094187
2-benzoyl-3-(trifluoromethyl)benzonitrile
CID 154239239
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
1-(benzenesulfonyl)-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174560871
2,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 18981651
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
benzoic acid;2-methylbenzenesulfonyl chloride
CID 88766670
2,6-bis(trichloromethyl)benzoic acid;2,6-bis(trifluoromethyl)benzoic acid
CID 159936045
5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
CID 25189329
2,6-bis(trifluoromethyl)benzoate
CID 6927052
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride (CID 159729572) is 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride is O=C(c1ccccc1)c1c(C(F)(F)F)cccc1S(=O)(=O)Cl.
What is the InChIKey of 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is NBBLCQJQPQELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O3S/c15-22(20,21)11-8-4-7-10(14(16,17)18)12(11)13(19)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride?
2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 348.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 159729572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).