5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride

C9H3ClF6O3S — CID 134638621

IUPAC5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=Cc1cc(C(F)(F)F)c(C(F)(F)F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H3ClF6O3S/c10-20(18,19)6-2-4(3-17)1-5(8(11,12)13)7(6)9(14,15)16/h1-3H
InChIKeyGGIVRRRBIRLDKD-UHFFFAOYSA-N
MW340.63 g/mol
LogP3.46
Rot. Bonds2

About 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride

5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 134638621) has the molecular formula C9H3ClF6O3S and a molecular weight of 340.63 g/mol. Its IUPAC name is 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride
PubChem CID134638621
Molecular FormulaC9H3ClF6O3S
Molecular Weight340.63 g/mol
Exact Mass339.94
IUPAC Name5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=Cc1cc(C(F)(F)F)c(C(F)(F)F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H3ClF6O3S/c10-20(18,19)6-2-4(3-17)1-5(8(11,12)13)7(6)9(14,15)16/h1-3H
InChIKeyGGIVRRRBIRLDKD-UHFFFAOYSA-N
XLogP3.46
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
5-formyl-2,3-bis(trifluoromethyl)benzonitrile
CID 134638670
3-acetyl-4,5-bis(trifluoromethyl)benzaldehyde
CID 118837666
3-fluoro-5-formyl-2-methoxybenzenesulfonyl chloride
CID 171009670
2-(difluoromethyl)-6-(trifluoromethyl)terephthalaldehyde
CID 171027927
4-formyl-2,6-bis(trifluoromethyl)benzonitrile
CID 134638671
3-bromo-2-cyano-5-formylbenzenesulfonyl chloride
CID 131515343
2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 169448398
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875
4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 118805308
4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
CID 154168483
6-chloro-2,3-bis(trifluoromethyl)benzaldehyde
CID 119021847

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride (CID 134638621) is 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride is O=Cc1cc(C(F)(F)F)c(C(F)(F)F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is GGIVRRRBIRLDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF6O3S/c10-20(18,19)6-2-4(3-17)1-5(8(11,12)13)7(6)9(14,15)16/h1-3H.
What are the key properties of 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 340.63 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2,3-bis(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 134638621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).