2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

C15H22N2O4S — CID 110710173

IUPAC2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CN(C)C(=O)CO2)c(C)c1
InChIInChI=1S/C15H22N2O4S/c1-10-5-11(2)15(12(3)6-10)22(19,20)16-7-13-8-17(4)14(18)9-21-13/h5-6,13,16H,7-9H2,1-4H3
InChIKeyKTHPCZWMKYLTJR-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.75
Rot. Bonds4

About 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110710173) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110710173
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CN(C)C(=O)CO2)c(C)c1
InChIInChI=1S/C15H22N2O4S/c1-10-5-11(2)15(12(3)6-10)22(19,20)16-7-13-8-17(4)14(18)9-21-13/h5-6,13,16H,7-9H2,1-4H3
InChIKeyKTHPCZWMKYLTJR-UHFFFAOYSA-N
XLogP0.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (CID 110710173) is 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2CN(C)C(=O)CO2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is KTHPCZWMKYLTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-5-11(2)15(12(3)6-10)22(19,20)16-7-13-8-17(4)14(18)9-21-13/h5-6,13,16H,7-9H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).