N-hydroxy-4-iodobenzenesulfonamide

C6H6INO3S — CID 5220706

IUPACN-hydroxy-4-iodobenzenesulfonamide
SMILESO=S(=O)(NO)c1ccc(I)cc1
InChIInChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
InChIKeyYNOGLIGOUAHYJD-UHFFFAOYSA-N
MW299.09 g/mol
LogP0.96
Rot. Bonds2

About N-hydroxy-4-iodobenzenesulfonamide

N-hydroxy-4-iodobenzenesulfonamide (PubChem CID 5220706) has the molecular formula C6H6INO3S and a molecular weight of 299.09 g/mol. Its IUPAC name is N-hydroxy-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-4-iodobenzenesulfonamide
PubChem CID5220706
Molecular FormulaC6H6INO3S
Molecular Weight299.09 g/mol
Exact Mass298.91
IUPAC NameN-hydroxy-4-iodobenzenesulfonamide
SMILESO=S(=O)(NO)c1ccc(I)cc1
InChIInChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
InChIKeyYNOGLIGOUAHYJD-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-iodobenzenesulfonamide?
The IUPAC name of N-hydroxy-4-iodobenzenesulfonamide (CID 5220706) is N-hydroxy-4-iodobenzenesulfonamide.
What is the SMILES notation for N-hydroxy-4-iodobenzenesulfonamide?
The canonical SMILES for N-hydroxy-4-iodobenzenesulfonamide is O=S(=O)(NO)c1ccc(I)cc1.
What is the InChIKey of N-hydroxy-4-iodobenzenesulfonamide?
The InChIKey is YNOGLIGOUAHYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H.
What are the key properties of N-hydroxy-4-iodobenzenesulfonamide?
N-hydroxy-4-iodobenzenesulfonamide has a molecular weight of 299.09 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-iodobenzenesulfonamide is sourced from PubChem (CID 5220706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).