2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide

C13H10Cl2N2O3S — CID 11308204

IUPAC2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESNc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-8-1-4-10(5-2-8)21(19,20)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,16H2,(H,17,18)
InChIKeyROGXYMYBIRRWOX-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide

2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11308204) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11308204
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESNc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-8-1-4-10(5-2-8)21(19,20)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,16H2,(H,17,18)
InChIKeyROGXYMYBIRRWOX-UHFFFAOYSA-N
XLogP2.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide (CID 11308204) is 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide is Nc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is ROGXYMYBIRRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c14-8-1-4-10(5-2-8)21(19,20)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,16H2,(H,17,18).
What are the key properties of 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 345.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11308204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).