3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline

C12H8Cl4N2O2S — CID 127025414

IUPAC3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl4N2O2S/c13-9-3-1-7(5-11(9)15)17-21(19,20)18-8-2-4-10(14)12(16)6-8/h1-6,17-18H
InChIKeyJMQHPOOJYMIBDW-UHFFFAOYSA-N
MW386.09 g/mol
LogP5.07
Rot. Bonds4

About 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline

3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline (PubChem CID 127025414) has the molecular formula C12H8Cl4N2O2S and a molecular weight of 386.09 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline
PubChem CID127025414
Molecular FormulaC12H8Cl4N2O2S
Molecular Weight386.09 g/mol
Exact Mass383.91
IUPAC Name3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl4N2O2S/c13-9-3-1-7(5-11(9)15)17-21(19,20)18-8-2-4-10(14)12(16)6-8/h1-6,17-18H
InChIKeyJMQHPOOJYMIBDW-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.09
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline 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 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline?
The IUPAC name of 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline (CID 127025414) is 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline is O=S(=O)(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline?
The InChIKey is JMQHPOOJYMIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2O2S/c13-9-3-1-7(5-11(9)15)17-21(19,20)18-8-2-4-10(14)12(16)6-8/h1-6,17-18H.
What are the key properties of 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline?
3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline has a molecular weight of 386.09 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3,4-dichlorophenyl)sulfamoyl]aniline is sourced from PubChem (CID 127025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).