4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide

C12H11ClN2O4S — CID 142989148

IUPAC4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2NO)cc1
InChIInChI=1S/C12H11ClN2O4S/c13-10-2-1-3-11(15-16)12(10)19-8-4-6-9(7-5-8)20(14,17)18/h1-7,15-16H,(H2,14,17,18)
InChIKeySWUILMZBMOJYEQ-UHFFFAOYSA-N
MW314.75 g/mol
LogP2.58
Rot. Bonds4

About 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide

4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide (PubChem CID 142989148) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide
PubChem CID142989148
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2NO)cc1
InChIInChI=1S/C12H11ClN2O4S/c13-10-2-1-3-11(15-16)12(10)19-8-4-6-9(7-5-8)20(14,17)18/h1-7,15-16H,(H2,14,17,18)
InChIKeySWUILMZBMOJYEQ-UHFFFAOYSA-N
XLogP2.58
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide?
The IUPAC name of 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide (CID 142989148) is 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2c(Cl)cccc2NO)cc1.
What is the InChIKey of 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide?
The InChIKey is SWUILMZBMOJYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c13-10-2-1-3-11(15-16)12(10)19-8-4-6-9(7-5-8)20(14,17)18/h1-7,15-16H,(H2,14,17,18).
What are the key properties of 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide?
4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide has a molecular weight of 314.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(hydroxyamino)phenoxy]benzenesulfonamide is sourced from PubChem (CID 142989148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).