ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide

C9H15NO5S2 — CID 144672810

IUPACethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide
SMILESCC.CS(=O)(=O)c1cccc(S(=O)(=O)NO)c1
InChIInChI=1S/C7H9NO5S2.C2H6/c1-14(10,11)6-3-2-4-7(5-6)15(12,13)8-9;1-2/h2-5,8-9H,1H3;1-2H3
InChIKeySZFNTKQERXMVSP-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.78
Rot. Bonds3

About ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide

ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide (PubChem CID 144672810) has the molecular formula C9H15NO5S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Nameethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide
PubChem CID144672810
Molecular FormulaC9H15NO5S2
Molecular Weight281.36 g/mol
Exact Mass281.04
IUPAC Nameethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide
SMILESCC.CS(=O)(=O)c1cccc(S(=O)(=O)NO)c1
InChIInChI=1S/C7H9NO5S2.C2H6/c1-14(10,11)6-3-2-4-7(5-6)15(12,13)8-9;1-2/h2-5,8-9H,1H3;1-2H3
InChIKeySZFNTKQERXMVSP-UHFFFAOYSA-N
XLogP0.78
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.78
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 ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide (CID 144672810) is ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide is CC.CS(=O)(=O)c1cccc(S(=O)(=O)NO)c1.
What is the InChIKey of ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide?
The InChIKey is SZFNTKQERXMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S2.C2H6/c1-14(10,11)6-3-2-4-7(5-6)15(12,13)8-9;1-2/h2-5,8-9H,1H3;1-2H3.
What are the key properties of ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide?
ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide has a molecular weight of 281.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 144672810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).