4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride

C7H3Cl2F3O3S — CID 118850798

IUPAC4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3Cl2F3O3S/c8-5-2-1-4(16(9,13)14)3-6(5)15-7(10,11)12/h1-3H
InChIKeyXJMQPMYMTVRDJG-UHFFFAOYSA-N
MW295.07 g/mol
LogP3.17
Rot. Bonds2

About 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride

4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 118850798) has the molecular formula C7H3Cl2F3O3S and a molecular weight of 295.07 g/mol. Its IUPAC name is 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID118850798
Molecular FormulaC7H3Cl2F3O3S
Molecular Weight295.07 g/mol
Exact Mass293.91
IUPAC Name4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3Cl2F3O3S/c8-5-2-1-4(16(9,13)14)3-6(5)15-7(10,11)12/h1-3H
InChIKeyXJMQPMYMTVRDJG-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.07
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-3-methoxybenzene-1-sulfonamide
CID 458382
3-chloro-4-(trifluoromethoxy)benzenesulfonyl Chloride
CID 2782768
4-Chloro-3-methoxybenzenethiol
CID 12374601
5-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 13322054
2-Chloro-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 13322055
3-Chloro-4-methoxybenzene-1-sulfonyl chloride
CID 16767427
4-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 17978366
4-Chloro-3-methoxybenzene-1-sulfonyl chloride
CID 50876025
2-Chloro-3-methoxybenzene-1-sulfonyl chloride
CID 55280680
4-Chloro-2-fluoro-5-methoxybenzenesulfonyl chloride
CID 84806054
3-Chloro-4-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 20119141
2,5-Dichloro-4-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 82912671

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride (CID 118850798) is 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is XJMQPMYMTVRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O3S/c8-5-2-1-4(16(9,13)14)3-6(5)15-7(10,11)12/h1-3H.
What are the key properties of 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride?
4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 295.07 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 118850798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).