3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide

C19H12Cl2F3NO4S — CID 146545914

IUPAC3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1OC(F)(F)F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12Cl2F3NO4S/c20-13-9-14(21)18(26)17(10-13)30(27,28)25-15-8-12(11-4-2-1-3-5-11)6-7-16(15)29-19(22,23)24/h1-10,25-26H
InChIKeyNUPHWPXCFMGSBW-UHFFFAOYSA-N
MW478.28 g/mol
LogP6.07
Rot. Bonds5

About 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide

3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 146545914) has the molecular formula C19H12Cl2F3NO4S and a molecular weight of 478.28 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID146545914
Molecular FormulaC19H12Cl2F3NO4S
Molecular Weight478.28 g/mol
Exact Mass476.98
IUPAC Name3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1OC(F)(F)F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12Cl2F3NO4S/c20-13-9-14(21)18(26)17(10-13)30(27,28)25-15-8-12(11-4-2-1-3-5-11)6-7-16(15)29-19(22,23)24/h1-10,25-26H
InChIKeyNUPHWPXCFMGSBW-UHFFFAOYSA-N
XLogP6.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.28
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 146545914) is 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)ccc1OC(F)(F)F)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is NUPHWPXCFMGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NO4S/c20-13-9-14(21)18(26)17(10-13)30(27,28)25-15-8-12(11-4-2-1-3-5-11)6-7-16(15)29-19(22,23)24/h1-10,25-26H.
What are the key properties of 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 478.28 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 146545914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).