2-(3-methoxyphenyl)sulfonyl-N-methylacetamide

C10H13NO4S — CID 47218206

IUPAC2-(3-methoxyphenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C10H13NO4S/c1-11-10(12)7-16(13,14)9-5-3-4-8(6-9)15-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeySPKZTWLQVIHMAZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.21
Rot. Bonds4

About 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide

2-(3-methoxyphenyl)sulfonyl-N-methylacetamide (PubChem CID 47218206) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfonyl-N-methylacetamide
PubChem CID47218206
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(3-methoxyphenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C10H13NO4S/c1-11-10(12)7-16(13,14)9-5-3-4-8(6-9)15-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeySPKZTWLQVIHMAZ-UHFFFAOYSA-N
XLogP0.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide (CID 47218206) is 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide?
The InChIKey is SPKZTWLQVIHMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11-10(12)7-16(13,14)9-5-3-4-8(6-9)15-2/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide?
2-(3-methoxyphenyl)sulfonyl-N-methylacetamide has a molecular weight of 243.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 47218206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).