4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide

C19H15Cl3N2O3S2 — CID 151978529

IUPAC4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(c2ccccc2)S(=O)C(Cl)(Cl)Cl)c(-c2ccccc2)c1
InChIInChI=1S/C19H15Cl3N2O3S2/c20-19(21,22)28(25)24(16-9-5-2-6-10-16)29(26,27)18-12-11-15(23)13-17(18)14-7-3-1-4-8-14/h1-13H,23H2
InChIKeyUCEFOTOFZKTFLC-UHFFFAOYSA-N
MW489.83 g/mol
LogP5.12
Rot. Bonds5

About 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide

4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide (PubChem CID 151978529) has the molecular formula C19H15Cl3N2O3S2 and a molecular weight of 489.83 g/mol. Its IUPAC name is 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide
PubChem CID151978529
Molecular FormulaC19H15Cl3N2O3S2
Molecular Weight489.83 g/mol
Exact Mass487.96
IUPAC Name4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(c2ccccc2)S(=O)C(Cl)(Cl)Cl)c(-c2ccccc2)c1
InChIInChI=1S/C19H15Cl3N2O3S2/c20-19(21,22)28(25)24(16-9-5-2-6-10-16)29(26,27)18-12-11-15(23)13-17(18)14-7-3-1-4-8-14/h1-13H,23H2
InChIKeyUCEFOTOFZKTFLC-UHFFFAOYSA-N
XLogP5.12
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.83
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide?
The IUPAC name of 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide (CID 151978529) is 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)N(c2ccccc2)S(=O)C(Cl)(Cl)Cl)c(-c2ccccc2)c1.
What is the InChIKey of 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide?
The InChIKey is UCEFOTOFZKTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3S2/c20-19(21,22)28(25)24(16-9-5-2-6-10-16)29(26,27)18-12-11-15(23)13-17(18)14-7-3-1-4-8-14/h1-13H,23H2.
What are the key properties of 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide?
4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide has a molecular weight of 489.83 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-diphenyl-N-(trichloromethylsulfinyl)benzenesulfonamide is sourced from PubChem (CID 151978529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).