4-chloro-1-hydroxy-2-(sulfinatoamino)benzene

C6H5ClNO3S- — CID 71213299

IUPAC4-chloro-1-hydroxy-2-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1cc(Cl)ccc1O
InChIInChI=1S/C6H6ClNO3S/c7-4-1-2-6(9)5(3-4)8-12(10)11/h1-3,8-9H,(H,10,11)/p-1
InChIKeyYOCBYEBVHUTJGR-UHFFFAOYSA-M
MW206.63 g/mol
LogP1.25
Rot. Bonds2

About 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene

4-chloro-1-hydroxy-2-(sulfinatoamino)benzene (PubChem CID 71213299) has the molecular formula C6H5ClNO3S- and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene.

Molecular Properties

Compound Name4-chloro-1-hydroxy-2-(sulfinatoamino)benzene
PubChem CID71213299
Molecular FormulaC6H5ClNO3S-
Molecular Weight206.63 g/mol
Exact Mass205.97
IUPAC Name4-chloro-1-hydroxy-2-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1cc(Cl)ccc1O
InChIInChI=1S/C6H6ClNO3S/c7-4-1-2-6(9)5(3-4)8-12(10)11/h1-3,8-9H,(H,10,11)/p-1
InChIKeyYOCBYEBVHUTJGR-UHFFFAOYSA-M
XLogP1.25
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene?
The IUPAC name of 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene (CID 71213299) is 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene.
What is the SMILES notation for 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene?
The canonical SMILES for 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene is O=S([O-])Nc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene?
The InChIKey is YOCBYEBVHUTJGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6ClNO3S/c7-4-1-2-6(9)5(3-4)8-12(10)11/h1-3,8-9H,(H,10,11)/p-1.
What are the key properties of 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene?
4-chloro-1-hydroxy-2-(sulfinatoamino)benzene has a molecular weight of 206.63 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-2-(sulfinatoamino)benzene is sourced from PubChem (CID 71213299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).