1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene

C12H8Br2NO2S- — CID 19105508

IUPAC1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene
SMILESO=S([O-])N(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C12H9Br2NO2S/c13-9-5-1-3-7-11(9)15(18(16)17)12-8-4-2-6-10(12)14/h1-8H,(H,16,17)/p-1
InChIKeyAXFNAFMOFCCYKX-UHFFFAOYSA-M
MW390.08 g/mol
LogP4.14
Rot. Bonds3

About 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene

1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene (PubChem CID 19105508) has the molecular formula C12H8Br2NO2S- and a molecular weight of 390.08 g/mol. Its IUPAC name is 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene
PubChem CID19105508
Molecular FormulaC12H8Br2NO2S-
Molecular Weight390.08 g/mol
Exact Mass387.86
IUPAC Name1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene
SMILESO=S([O-])N(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C12H9Br2NO2S/c13-9-5-1-3-7-11(9)15(18(16)17)12-8-4-2-6-10(12)14/h1-8H,(H,16,17)/p-1
InChIKeyAXFNAFMOFCCYKX-UHFFFAOYSA-M
XLogP4.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 54.14
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene?
The IUPAC name of 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene (CID 19105508) is 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene.
What is the SMILES notation for 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene?
The canonical SMILES for 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene is O=S([O-])N(c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene?
The InChIKey is AXFNAFMOFCCYKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9Br2NO2S/c13-9-5-1-3-7-11(9)15(18(16)17)12-8-4-2-6-10(12)14/h1-8H,(H,16,17)/p-1.
What are the key properties of 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene?
1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene has a molecular weight of 390.08 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromo-N-sulfinatoanilino)benzene is sourced from PubChem (CID 19105508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).