1-bromo-3-(sulfinatoamino)benzene

C6H5BrNO2S- — CID 57052176

IUPAC1-bromo-3-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1cccc(Br)c1
InChIInChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)8-11(9)10/h1-4,8H,(H,9,10)/p-1
InChIKeyFBLORBCBJBYVMJ-UHFFFAOYSA-M
MW235.08 g/mol
LogP1.66
Rot. Bonds2

About 1-bromo-3-(sulfinatoamino)benzene

1-bromo-3-(sulfinatoamino)benzene (PubChem CID 57052176) has the molecular formula C6H5BrNO2S- and a molecular weight of 235.08 g/mol. Its IUPAC name is 1-bromo-3-(sulfinatoamino)benzene.

Molecular Properties

Compound Name1-bromo-3-(sulfinatoamino)benzene
PubChem CID57052176
Molecular FormulaC6H5BrNO2S-
Molecular Weight235.08 g/mol
Exact Mass233.92
IUPAC Name1-bromo-3-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1cccc(Br)c1
InChIInChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)8-11(9)10/h1-4,8H,(H,9,10)/p-1
InChIKeyFBLORBCBJBYVMJ-UHFFFAOYSA-M
XLogP1.66
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethanamine;(sulfinatoamino)benzene
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1-bromo-3-(sulfamoylamino)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(sulfinatoamino)benzene?
The IUPAC name of 1-bromo-3-(sulfinatoamino)benzene (CID 57052176) is 1-bromo-3-(sulfinatoamino)benzene.
What is the SMILES notation for 1-bromo-3-(sulfinatoamino)benzene?
The canonical SMILES for 1-bromo-3-(sulfinatoamino)benzene is O=S([O-])Nc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(sulfinatoamino)benzene?
The InChIKey is FBLORBCBJBYVMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)8-11(9)10/h1-4,8H,(H,9,10)/p-1.
What are the key properties of 1-bromo-3-(sulfinatoamino)benzene?
1-bromo-3-(sulfinatoamino)benzene has a molecular weight of 235.08 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(sulfinatoamino)benzene is sourced from PubChem (CID 57052176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).