2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide

C19H14F3NO2S — CID 171061367

IUPAC2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C19H14F3NO2S/c20-16-10-18(22)19(11-17(16)21)26(24,25)23-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,23H,12H2
InChIKeyGAZMKWMRXKOSHD-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.25
Rot. Bonds5

About 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide

2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide (PubChem CID 171061367) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide
PubChem CID171061367
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC Name2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C19H14F3NO2S/c20-16-10-18(22)19(11-17(16)21)26(24,25)23-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,23H,12H2
InChIKeyGAZMKWMRXKOSHD-UHFFFAOYSA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide (CID 171061367) is 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide?
The InChIKey is GAZMKWMRXKOSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-16-10-18(22)19(11-17(16)21)26(24,25)23-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,23H,12H2.
What are the key properties of 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide?
2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-[(4-phenylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 171061367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).