2-(benzenesulfonyl)-N-methoxy-N-methylacetamide

C10H13NO4S — CID 4662404

IUPAC2-(benzenesulfonyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-11(15-2)10(12)8-16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyJREIEAVKXTZABZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.48
Rot. Bonds4

About 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide

2-(benzenesulfonyl)-N-methoxy-N-methylacetamide (PubChem CID 4662404) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-methoxy-N-methylacetamide
PubChem CID4662404
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(benzenesulfonyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-11(15-2)10(12)8-16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyJREIEAVKXTZABZ-UHFFFAOYSA-N
XLogP0.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide (CID 4662404) is 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide is CON(C)C(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide?
The InChIKey is JREIEAVKXTZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11(15-2)10(12)8-16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide?
2-(benzenesulfonyl)-N-methoxy-N-methylacetamide has a molecular weight of 243.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 4662404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).