N-hydroxy-2-nitrobenzenesulfonamide

C6H6N2O5S — CID 23645544

IUPACN-hydroxy-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NO
InChIInChI=1S/C6H6N2O5S/c9-7-14(12,13)6-4-2-1-3-5(6)8(10)11/h1-4,7,9H
InChIKeyCDRGZNIXJYUKQP-UHFFFAOYSA-N
MW218.19 g/mol
LogP0.26
Rot. Bonds3

About N-hydroxy-2-nitrobenzenesulfonamide

N-hydroxy-2-nitrobenzenesulfonamide (PubChem CID 23645544) has the molecular formula C6H6N2O5S and a molecular weight of 218.19 g/mol. Its IUPAC name is N-hydroxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-2-nitrobenzenesulfonamide
PubChem CID23645544
Molecular FormulaC6H6N2O5S
Molecular Weight218.19 g/mol
Exact Mass218.00
IUPAC NameN-hydroxy-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NO
InChIInChI=1S/C6H6N2O5S/c9-7-14(12,13)6-4-2-1-3-5(6)8(10)11/h1-4,7,9H
InChIKeyCDRGZNIXJYUKQP-UHFFFAOYSA-N
XLogP0.26
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-2-nitrobenzenesulfonamide?
The IUPAC name of N-hydroxy-2-nitrobenzenesulfonamide (CID 23645544) is N-hydroxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-hydroxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-hydroxy-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NO.
What is the InChIKey of N-hydroxy-2-nitrobenzenesulfonamide?
The InChIKey is CDRGZNIXJYUKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5S/c9-7-14(12,13)6-4-2-1-3-5(6)8(10)11/h1-4,7,9H.
What are the key properties of N-hydroxy-2-nitrobenzenesulfonamide?
N-hydroxy-2-nitrobenzenesulfonamide has a molecular weight of 218.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 23645544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).