5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline

C12H10Cl2N2S2 — CID 71464131

IUPAC5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline
SMILESNc1cc(SSc2ccc(Cl)c(N)c2)ccc1Cl
InChIInChI=1S/C12H10Cl2N2S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H,15-16H2
InChIKeyNJYNNWAPVXBAQD-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.96
Rot. Bonds3

About 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline

5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline (PubChem CID 71464131) has the molecular formula C12H10Cl2N2S2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline.

Molecular Properties

Compound Name5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline
PubChem CID71464131
Molecular FormulaC12H10Cl2N2S2
Molecular Weight317.27 g/mol
Exact Mass315.97
IUPAC Name5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline
SMILESNc1cc(SSc2ccc(Cl)c(N)c2)ccc1Cl
InChIInChI=1S/C12H10Cl2N2S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H,15-16H2
InChIKeyNJYNNWAPVXBAQD-UHFFFAOYSA-N
XLogP4.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline?
The IUPAC name of 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline (CID 71464131) is 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline.
What is the SMILES notation for 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline?
The canonical SMILES for 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline is Nc1cc(SSc2ccc(Cl)c(N)c2)ccc1Cl.
What is the InChIKey of 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline?
The InChIKey is NJYNNWAPVXBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H,15-16H2.
What are the key properties of 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline?
5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline has a molecular weight of 317.27 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline is sourced from PubChem (CID 71464131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).