4-(4-aminophenyl)sulfinylaniline

C12H12N2OS — CID 8402

IUPAC4-(4-aminophenyl)sulfinylaniline
SMILESNc1ccc(S(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyMITHMOYLTXMLRB-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.02
Rot. Bonds2

About 4-(4-aminophenyl)sulfinylaniline

4-(4-aminophenyl)sulfinylaniline (PubChem CID 8402) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfinylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfinylaniline
PubChem CID8402
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-(4-aminophenyl)sulfinylaniline
SMILESNc1ccc(S(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyMITHMOYLTXMLRB-UHFFFAOYSA-N
XLogP2.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.02
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 4-(4-aminophenyl)sulfinylaniline?
The IUPAC name of 4-(4-aminophenyl)sulfinylaniline (CID 8402) is 4-(4-aminophenyl)sulfinylaniline.
What is the SMILES notation for 4-(4-aminophenyl)sulfinylaniline?
The canonical SMILES for 4-(4-aminophenyl)sulfinylaniline is Nc1ccc(S(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfinylaniline?
The InChIKey is MITHMOYLTXMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,13-14H2.
What are the key properties of 4-(4-aminophenyl)sulfinylaniline?
4-(4-aminophenyl)sulfinylaniline has a molecular weight of 232.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfinylaniline is sourced from PubChem (CID 8402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).