1-phenyl-3-(sulfinatoamino)benzene

C12H10NO2S- — CID 57143520

IUPAC1-phenyl-3-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H11NO2S/c14-16(15)13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H,(H,14,15)/p-1
InChIKeyKADRZJULNDYQSI-UHFFFAOYSA-M
MW232.28 g/mol
LogP2.56
Rot. Bonds3

About 1-phenyl-3-(sulfinatoamino)benzene

1-phenyl-3-(sulfinatoamino)benzene (PubChem CID 57143520) has the molecular formula C12H10NO2S- and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-phenyl-3-(sulfinatoamino)benzene.

Molecular Properties

Compound Name1-phenyl-3-(sulfinatoamino)benzene
PubChem CID57143520
Molecular FormulaC12H10NO2S-
Molecular Weight232.28 g/mol
Exact Mass232.04
IUPAC Name1-phenyl-3-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H11NO2S/c14-16(15)13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H,(H,14,15)/p-1
InChIKeyKADRZJULNDYQSI-UHFFFAOYSA-M
XLogP2.56
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(sulfinatoamino)benzene?
The IUPAC name of 1-phenyl-3-(sulfinatoamino)benzene (CID 57143520) is 1-phenyl-3-(sulfinatoamino)benzene.
What is the SMILES notation for 1-phenyl-3-(sulfinatoamino)benzene?
The canonical SMILES for 1-phenyl-3-(sulfinatoamino)benzene is O=S([O-])Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-(sulfinatoamino)benzene?
The InChIKey is KADRZJULNDYQSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO2S/c14-16(15)13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H,(H,14,15)/p-1.
What are the key properties of 1-phenyl-3-(sulfinatoamino)benzene?
1-phenyl-3-(sulfinatoamino)benzene has a molecular weight of 232.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(sulfinatoamino)benzene is sourced from PubChem (CID 57143520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).