3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

C13H18N2O4S — CID 110710191

IUPAC3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CN(C)C(=O)CO2)c1
InChIInChI=1S/C13H18N2O4S/c1-10-4-3-5-12(6-10)20(17,18)14-7-11-8-15(2)13(16)9-19-11/h3-6,11,14H,7-9H2,1-2H3
InChIKeyFRGNQKPOPHSUJP-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.13
Rot. Bonds4

About 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110710191) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110710191
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CN(C)C(=O)CO2)c1
InChIInChI=1S/C13H18N2O4S/c1-10-4-3-5-12(6-10)20(17,18)14-7-11-8-15(2)13(16)9-19-11/h3-6,11,14H,7-9H2,1-2H3
InChIKeyFRGNQKPOPHSUJP-UHFFFAOYSA-N
XLogP0.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710163
4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710174
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 110367909
2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710173
4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide
CID 110710159
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710219
1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
CID 110710197
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110367066

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (CID 110710191) is 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2CN(C)C(=O)CO2)c1.
What is the InChIKey of 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is FRGNQKPOPHSUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-4-3-5-12(6-10)20(17,18)14-7-11-8-15(2)13(16)9-19-11/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).