2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid

C6H5Cl2NO4S — CID 91069097

IUPAC2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid
SMILESO=S(O)c1c(Cl)ccc(N(O)O)c1Cl
InChIInChI=1S/C6H5Cl2NO4S/c7-3-1-2-4(9(10)11)5(8)6(3)14(12)13/h1-2,10-11H,(H,12,13)
InChIKeyMKTFAANHOPSVJO-UHFFFAOYSA-N
MW258.08 g/mol
LogP2.16
Rot. Bonds2

About 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid

2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid (PubChem CID 91069097) has the molecular formula C6H5Cl2NO4S and a molecular weight of 258.08 g/mol. Its IUPAC name is 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid.

Molecular Properties

Compound Name2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid
PubChem CID91069097
Molecular FormulaC6H5Cl2NO4S
Molecular Weight258.08 g/mol
Exact Mass256.93
IUPAC Name2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid
SMILESO=S(O)c1c(Cl)ccc(N(O)O)c1Cl
InChIInChI=1S/C6H5Cl2NO4S/c7-3-1-2-4(9(10)11)5(8)6(3)14(12)13/h1-2,10-11H,(H,12,13)
InChIKeyMKTFAANHOPSVJO-UHFFFAOYSA-N
XLogP2.16
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid?
The IUPAC name of 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid (CID 91069097) is 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid.
What is the SMILES notation for 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid?
The canonical SMILES for 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid is O=S(O)c1c(Cl)ccc(N(O)O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid?
The InChIKey is MKTFAANHOPSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO4S/c7-3-1-2-4(9(10)11)5(8)6(3)14(12)13/h1-2,10-11H,(H,12,13).
What are the key properties of 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid?
2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid has a molecular weight of 258.08 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(dihydroxyamino)benzenesulfinic acid is sourced from PubChem (CID 91069097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).