3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C18H26N2O5S — CID 55586374

IUPAC3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)C(C)CO1
InChIInChI=1S/C18H26N2O5S/c1-13-12-25-14(2)11-20(13)18(21)15-5-3-7-17(9-15)26(22,23)19-10-16-6-4-8-24-16/h3,5,7,9,13-14,16,19H,4,6,8,10-12H2,1-2H3
InChIKeyFYUNBIZOHSLVJL-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.39
Rot. Bonds5

About 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 55586374) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID55586374
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)C(C)CO1
InChIInChI=1S/C18H26N2O5S/c1-13-12-25-14(2)11-20(13)18(21)15-5-3-7-17(9-15)26(22,23)19-10-16-6-4-8-24-16/h3,5,7,9,13-14,16,19H,4,6,8,10-12H2,1-2H3
InChIKeyFYUNBIZOHSLVJL-UHFFFAOYSA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55822182
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 43002481
3-(4-formylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 109063902
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 136519074
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55851242

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 55586374) is 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is CC1CN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is FYUNBIZOHSLVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13-12-25-14(2)11-20(13)18(21)15-5-3-7-17(9-15)26(22,23)19-10-16-6-4-8-24-16/h3,5,7,9,13-14,16,19H,4,6,8,10-12H2,1-2H3.
What are the key properties of 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 382.48 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55586374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).