[4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate

C14H16N2O2S — CID 18343908

IUPAC[4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate
SMILESCNc1ccc(OS(=O)c2ccc(NC)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-15-11-3-7-13(8-4-11)18-19(17)14-9-5-12(16-2)6-10-14/h3-10,15-16H,1-2H3
InChIKeyASLKGAJNSXZRKY-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.87
Rot. Bonds5

About [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate

[4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate (PubChem CID 18343908) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate.

Molecular Properties

Compound Name[4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate
PubChem CID18343908
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name[4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate
SMILESCNc1ccc(OS(=O)c2ccc(NC)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-15-11-3-7-13(8-4-11)18-19(17)14-9-5-12(16-2)6-10-14/h3-10,15-16H,1-2H3
InChIKeyASLKGAJNSXZRKY-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate?
The IUPAC name of [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate (CID 18343908) is [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate.
What is the SMILES notation for [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate?
The canonical SMILES for [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate is CNc1ccc(OS(=O)c2ccc(NC)cc2)cc1.
What is the InChIKey of [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate?
The InChIKey is ASLKGAJNSXZRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-15-11-3-7-13(8-4-11)18-19(17)14-9-5-12(16-2)6-10-14/h3-10,15-16H,1-2H3.
What are the key properties of [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate?
[4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate has a molecular weight of 276.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl] 4-(methylamino)benzenesulfinate is sourced from PubChem (CID 18343908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).