3-phenyl-4-(sulfinylamino)aniline

C12H10N2OS — CID 141249434

IUPAC3-phenyl-4-(sulfinylamino)aniline
SMILESNc1ccc(N=S=O)c(-c2ccccc2)c1
InChIInChI=1S/C12H10N2OS/c13-10-6-7-12(14-16-15)11(8-10)9-4-2-1-3-5-9/h1-8H,13H2
InChIKeyCBEUCVMBJXBBAZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.96
Rot. Bonds2

About 3-phenyl-4-(sulfinylamino)aniline

3-phenyl-4-(sulfinylamino)aniline (PubChem CID 141249434) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-phenyl-4-(sulfinylamino)aniline.

Molecular Properties

Compound Name3-phenyl-4-(sulfinylamino)aniline
PubChem CID141249434
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name3-phenyl-4-(sulfinylamino)aniline
SMILESNc1ccc(N=S=O)c(-c2ccccc2)c1
InChIInChI=1S/C12H10N2OS/c13-10-6-7-12(14-16-15)11(8-10)9-4-2-1-3-5-9/h1-8H,13H2
InChIKeyCBEUCVMBJXBBAZ-UHFFFAOYSA-N
XLogP2.96
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
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 3-phenyl-4-(sulfinylamino)aniline?
The IUPAC name of 3-phenyl-4-(sulfinylamino)aniline (CID 141249434) is 3-phenyl-4-(sulfinylamino)aniline.
What is the SMILES notation for 3-phenyl-4-(sulfinylamino)aniline?
The canonical SMILES for 3-phenyl-4-(sulfinylamino)aniline is Nc1ccc(N=S=O)c(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-4-(sulfinylamino)aniline?
The InChIKey is CBEUCVMBJXBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c13-10-6-7-12(14-16-15)11(8-10)9-4-2-1-3-5-9/h1-8H,13H2.
What are the key properties of 3-phenyl-4-(sulfinylamino)aniline?
3-phenyl-4-(sulfinylamino)aniline has a molecular weight of 230.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(sulfinylamino)aniline is sourced from PubChem (CID 141249434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).