2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C12H6Cl2F3NO2S — CID 2093570

IUPAC2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3NO2S/c13-6-2-1-3-9(10(6)14)21(19,20)18-8-5-4-7(15)11(16)12(8)17/h1-5,18H
InChIKeyVLDCMHCSOXOZMF-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.21
Rot. Bonds3

About 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide

2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 2093570) has the molecular formula C12H6Cl2F3NO2S and a molecular weight of 356.15 g/mol. Its IUPAC name is 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID2093570
Molecular FormulaC12H6Cl2F3NO2S
Molecular Weight356.15 g/mol
Exact Mass354.94
IUPAC Name2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3NO2S/c13-6-2-1-3-9(10(6)14)21(19,20)18-8-5-4-7(15)11(16)12(8)17/h1-5,18H
InChIKeyVLDCMHCSOXOZMF-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide
CID 166081585
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 26969725
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 2093570) is 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is VLDCMHCSOXOZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO2S/c13-6-2-1-3-9(10(6)14)21(19,20)18-8-5-4-7(15)11(16)12(8)17/h1-5,18H.
What are the key properties of 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 356.15 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 2093570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).