5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene

C7H7NO5S — CID 19389206

IUPAC5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene
SMILESO=Cc1cc(O)c(O)c(NS(=O)O)c1
InChIInChI=1S/C7H7NO5S/c9-3-4-1-5(8-14(12)13)7(11)6(10)2-4/h1-3,8,10-11H,(H,12,13)
InChIKeySOEQPUSDOLSDJL-UHFFFAOYSA-N
MW217.20 g/mol
LogP0.46
Rot. Bonds3

About 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene

5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene (PubChem CID 19389206) has the molecular formula C7H7NO5S and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene.

Molecular Properties

Compound Name5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene
PubChem CID19389206
Molecular FormulaC7H7NO5S
Molecular Weight217.20 g/mol
Exact Mass217.00
IUPAC Name5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene
SMILESO=Cc1cc(O)c(O)c(NS(=O)O)c1
InChIInChI=1S/C7H7NO5S/c9-3-4-1-5(8-14(12)13)7(11)6(10)2-4/h1-3,8,10-11H,(H,12,13)
InChIKeySOEQPUSDOLSDJL-UHFFFAOYSA-N
XLogP0.46
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene?
The IUPAC name of 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene (CID 19389206) is 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene.
What is the SMILES notation for 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene?
The canonical SMILES for 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene is O=Cc1cc(O)c(O)c(NS(=O)O)c1.
What is the InChIKey of 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene?
The InChIKey is SOEQPUSDOLSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5S/c9-3-4-1-5(8-14(12)13)7(11)6(10)2-4/h1-3,8,10-11H,(H,12,13).
What are the key properties of 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene?
5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene has a molecular weight of 217.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-1,2-dihydroxy-3-(sulfinoamino)benzene is sourced from PubChem (CID 19389206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).