4-[(4-aminophenyl)sulfonimidoyl]aniline

C12H13N3OS — CID 71513819

IUPAC4-[(4-aminophenyl)sulfonimidoyl]aniline
SMILES[H]N=S(=O)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C12H13N3OS/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
InChIKeyMSWIIBJBXHAXNR-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.32
Rot. Bonds2

About 4-[(4-aminophenyl)sulfonimidoyl]aniline

4-[(4-aminophenyl)sulfonimidoyl]aniline (PubChem CID 71513819) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[(4-aminophenyl)sulfonimidoyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)sulfonimidoyl]aniline
PubChem CID71513819
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-[(4-aminophenyl)sulfonimidoyl]aniline
SMILES[H]N=S(=O)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C12H13N3OS/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
InChIKeyMSWIIBJBXHAXNR-UHFFFAOYSA-N
XLogP2.32
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)sulfonimidoyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)sulfonimidoyl]aniline (CID 71513819) is 4-[(4-aminophenyl)sulfonimidoyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)sulfonimidoyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)sulfonimidoyl]aniline is [H]N=S(=O)(c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[(4-aminophenyl)sulfonimidoyl]aniline?
The InChIKey is MSWIIBJBXHAXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2.
What are the key properties of 4-[(4-aminophenyl)sulfonimidoyl]aniline?
4-[(4-aminophenyl)sulfonimidoyl]aniline has a molecular weight of 247.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)sulfonimidoyl]aniline is sourced from PubChem (CID 71513819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).