2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline

C12H10Cl2N2OS — CID 21272515

IUPAC2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
SMILESNc1cc(Cl)ccc1S(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H10Cl2N2OS/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6H,15-16H2
InChIKeyFAVDFKHUVSCMJS-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.32
Rot. Bonds2

About 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline

2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline (PubChem CID 21272515) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
PubChem CID21272515
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
SMILESNc1cc(Cl)ccc1S(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H10Cl2N2OS/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6H,15-16H2
InChIKeyFAVDFKHUVSCMJS-UHFFFAOYSA-N
XLogP3.32
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.32
H-Bond Donors ≤ 52
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-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline (CID 21272515) is 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline is Nc1cc(Cl)ccc1S(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline?
The InChIKey is FAVDFKHUVSCMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6H,15-16H2.
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline?
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline has a molecular weight of 301.20 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline is sourced from PubChem (CID 21272515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).