N-hydroxy-2-methylsulfonylbenzenesulfonamide

C7H9NO5S2 — CID 52939580

IUPACN-hydroxy-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NO
InChIInChI=1S/C7H9NO5S2/c1-14(10,11)6-4-2-3-5-7(6)15(12,13)8-9/h2-5,8-9H,1H3
InChIKeyRZRWBKKAFHXNEQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.24
Rot. Bonds3

About N-hydroxy-2-methylsulfonylbenzenesulfonamide

N-hydroxy-2-methylsulfonylbenzenesulfonamide (PubChem CID 52939580) has the molecular formula C7H9NO5S2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-hydroxy-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-2-methylsulfonylbenzenesulfonamide
PubChem CID52939580
Molecular FormulaC7H9NO5S2
Molecular Weight251.29 g/mol
Exact Mass250.99
IUPAC NameN-hydroxy-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NO
InChIInChI=1S/C7H9NO5S2/c1-14(10,11)6-4-2-3-5-7(6)15(12,13)8-9/h2-5,8-9H,1H3
InChIKeyRZRWBKKAFHXNEQ-UHFFFAOYSA-N
XLogP-0.24
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
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 N-hydroxy-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-hydroxy-2-methylsulfonylbenzenesulfonamide (CID 52939580) is N-hydroxy-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-hydroxy-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-hydroxy-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)NO.
What is the InChIKey of N-hydroxy-2-methylsulfonylbenzenesulfonamide?
The InChIKey is RZRWBKKAFHXNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S2/c1-14(10,11)6-4-2-3-5-7(6)15(12,13)8-9/h2-5,8-9H,1H3.
What are the key properties of N-hydroxy-2-methylsulfonylbenzenesulfonamide?
N-hydroxy-2-methylsulfonylbenzenesulfonamide has a molecular weight of 251.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 52939580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).