N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide

C19H14F3NO2S — CID 2441935

IUPACN-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C19H14F3NO2S/c20-15-10-11-17(19(22)18(15)21)26(24,25)23-16-9-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-11,23H,12H2
InChIKeyPPXACJJSLGGCBX-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.50
Rot. Bonds5

About N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide

N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide (PubChem CID 2441935) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide
PubChem CID2441935
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C19H14F3NO2S/c20-15-10-11-17(19(22)18(15)21)26(24,25)23-16-9-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-11,23H,12H2
InChIKeyPPXACJJSLGGCBX-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 64894668
N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2442571
N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22204397
N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 26979760
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62146722
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide (CID 2441935) is N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide is O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is PPXACJJSLGGCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-15-10-11-17(19(22)18(15)21)26(24,25)23-16-9-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-11,23H,12H2.
What are the key properties of N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide?
N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 2441935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).