2-chloro-5-(4-chlorophenyl)sulfonylaniline

C12H9Cl2NO2S — CID 825479

IUPAC2-chloro-5-(4-chlorophenyl)sulfonylaniline
SMILESNc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-8-1-3-9(4-2-8)18(16,17)10-5-6-11(14)12(15)7-10/h1-7H,15H2
InChIKeyWLLOCTOTEPGFAA-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.41
Rot. Bonds2

About 2-chloro-5-(4-chlorophenyl)sulfonylaniline

2-chloro-5-(4-chlorophenyl)sulfonylaniline (PubChem CID 825479) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenyl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenyl)sulfonylaniline
PubChem CID825479
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name2-chloro-5-(4-chlorophenyl)sulfonylaniline
SMILESNc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c13-8-1-3-9(4-2-8)18(16,17)10-5-6-11(14)12(15)7-10/h1-7H,15H2
InChIKeyWLLOCTOTEPGFAA-UHFFFAOYSA-N
XLogP3.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-5-(4-chlorophenyl)sulfonylaniline?
The IUPAC name of 2-chloro-5-(4-chlorophenyl)sulfonylaniline (CID 825479) is 2-chloro-5-(4-chlorophenyl)sulfonylaniline.
What is the SMILES notation for 2-chloro-5-(4-chlorophenyl)sulfonylaniline?
The canonical SMILES for 2-chloro-5-(4-chlorophenyl)sulfonylaniline is Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-chlorophenyl)sulfonylaniline?
The InChIKey is WLLOCTOTEPGFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c13-8-1-3-9(4-2-8)18(16,17)10-5-6-11(14)12(15)7-10/h1-7H,15H2.
What are the key properties of 2-chloro-5-(4-chlorophenyl)sulfonylaniline?
2-chloro-5-(4-chlorophenyl)sulfonylaniline has a molecular weight of 302.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenyl)sulfonylaniline is sourced from PubChem (CID 825479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).