2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide

C18H10Cl3F2NO2S — CID 67654263

IUPAC2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1cc(F)c(F)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl3F2NO2S/c19-13-5-9(6-14(20)18(13)21)11-7-15(22)16(23)8-12(11)10-3-1-2-4-17(10)27(24,25)26/h1-8H,(H2,24,25,26)
InChIKeyMTQHXGUAHMOXGN-UHFFFAOYSA-N
MW448.71 g/mol
LogP5.91
Rot. Bonds3

About 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide

2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide (PubChem CID 67654263) has the molecular formula C18H10Cl3F2NO2S and a molecular weight of 448.71 g/mol. Its IUPAC name is 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide
PubChem CID67654263
Molecular FormulaC18H10Cl3F2NO2S
Molecular Weight448.71 g/mol
Exact Mass446.95
IUPAC Name2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1cc(F)c(F)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl3F2NO2S/c19-13-5-9(6-14(20)18(13)21)11-7-15(22)16(23)8-12(11)10-3-1-2-4-17(10)27(24,25)26/h1-8H,(H2,24,25,26)
InChIKeyMTQHXGUAHMOXGN-UHFFFAOYSA-N
XLogP5.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.71
LogP ≤ 55.91
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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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide (CID 67654263) is 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1cc(F)c(F)cc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide?
The InChIKey is MTQHXGUAHMOXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F2NO2S/c19-13-5-9(6-14(20)18(13)21)11-7-15(22)16(23)8-12(11)10-3-1-2-4-17(10)27(24,25)26/h1-8H,(H2,24,25,26).
What are the key properties of 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide?
2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide has a molecular weight of 448.71 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67654263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).