2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride

C13H7Cl2F3O2S — CID 165350148

IUPAC2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7Cl2F3O2S/c14-11-7-8(5-6-12(11)21(15,19)20)9-3-1-2-4-10(9)13(16,17)18/h1-7H
InChIKeyFGGMJKGPTSCWCC-UHFFFAOYSA-N
MW355.16 g/mol
LogP4.95
Rot. Bonds2

About 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride

2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride (PubChem CID 165350148) has the molecular formula C13H7Cl2F3O2S and a molecular weight of 355.16 g/mol. Its IUPAC name is 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride
PubChem CID165350148
Molecular FormulaC13H7Cl2F3O2S
Molecular Weight355.16 g/mol
Exact Mass353.95
IUPAC Name2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7Cl2F3O2S/c14-11-7-8(5-6-12(11)21(15,19)20)9-3-1-2-4-10(9)13(16,17)18/h1-7H
InChIKeyFGGMJKGPTSCWCC-UHFFFAOYSA-N
XLogP4.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
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CID 91807915
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
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3-(2-methylphenyl)-6-[2-(trifluoromethyl)phenyl]phenanthrene-9,10-dione
CID 58301297
5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride
CID 82308432
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[4-[2-chloro-4-[2-(trifluoromethyl)phenyl]anilino]anilino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride (CID 165350148) is 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride?
The InChIKey is FGGMJKGPTSCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O2S/c14-11-7-8(5-6-12(11)21(15,19)20)9-3-1-2-4-10(9)13(16,17)18/h1-7H.
What are the key properties of 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride?
2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride has a molecular weight of 355.16 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride is sourced from PubChem (CID 165350148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).