N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide

C13H18N2O4S — CID 46510193

IUPACN-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C13H18N2O4S/c1-10-9-15(7-8-19-10)13(16)11-3-5-12(6-4-11)14-20(2,17)18/h3-6,10,14H,7-9H2,1-2H3
InChIKeyICGMINVXOIZBGE-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.92
Rot. Bonds3

About N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide (PubChem CID 46510193) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
PubChem CID46510193
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C13H18N2O4S/c1-10-9-15(7-8-19-10)13(16)11-3-5-12(6-4-11)14-20(2,17)18/h3-6,10,14H,7-9H2,1-2H3
InChIKeyICGMINVXOIZBGE-UHFFFAOYSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 110352750
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 115966226
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide (CID 46510193) is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide is CC1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
The InChIKey is ICGMINVXOIZBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-9-15(7-8-19-10)13(16)11-3-5-12(6-4-11)14-20(2,17)18/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 46510193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).