4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C13H18N2O4S — CID 801290

IUPAC4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)20(17,18)14-10-13(16)15-6-8-19-9-7-15/h2-5,14H,6-10H2,1H3
InChIKeyNNVCVTFWTKYKEO-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.13
Rot. Bonds4

About 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 801290) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID801290
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)20(17,18)14-10-13(16)15-6-8-19-9-7-15/h2-5,14H,6-10H2,1H3
InChIKeyNNVCVTFWTKYKEO-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 801290) is 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is NNVCVTFWTKYKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)20(17,18)14-10-13(16)15-6-8-19-9-7-15/h2-5,14H,6-10H2,1H3.
What are the key properties of 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)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 4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 801290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).