4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide

C20H10F9NO2S — CID 23217522

IUPAC4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(F)c(F)cc1-c1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H10F9NO2S/c21-15-8-12(10-6-13(19(24,25)26)18(23)14(7-10)20(27,28)29)17(9-16(15)22)33(31,32)30-11-4-2-1-3-5-11/h1-9,30H
InChIKeyPUQIHBGWCNVVJC-UHFFFAOYSA-N
MW499.35 g/mol
LogP6.61
Rot. Bonds4

About 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide

4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide (PubChem CID 23217522) has the molecular formula C20H10F9NO2S and a molecular weight of 499.35 g/mol. Its IUPAC name is 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide
PubChem CID23217522
Molecular FormulaC20H10F9NO2S
Molecular Weight499.35 g/mol
Exact Mass499.03
IUPAC Name4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(F)c(F)cc1-c1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H10F9NO2S/c21-15-8-12(10-6-13(19(24,25)26)18(23)14(7-10)20(27,28)29)17(9-16(15)22)33(31,32)30-11-4-2-1-3-5-11/h1-9,30H
InChIKeyPUQIHBGWCNVVJC-UHFFFAOYSA-N
XLogP6.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.35
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide (CID 23217522) is 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cc(F)c(F)cc1-c1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide?
The InChIKey is PUQIHBGWCNVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F9NO2S/c21-15-8-12(10-6-13(19(24,25)26)18(23)14(7-10)20(27,28)29)17(9-16(15)22)33(31,32)30-11-4-2-1-3-5-11/h1-9,30H.
What are the key properties of 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide?
4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide has a molecular weight of 499.35 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 23217522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).