N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide

C13H20N2O3S — CID 91661182

IUPACN-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCOC(C)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-19(16,17)14-12-4-6-13(7-5-12)15-8-9-18-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyTVAYOEQMUCXYMV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.67
Rot. Bonds4

About N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide

N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide (PubChem CID 91661182) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
PubChem CID91661182
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCOC(C)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-19(16,17)14-12-4-6-13(7-5-12)15-8-9-18-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyTVAYOEQMUCXYMV-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110637346
N-[4-(3-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 110637445
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-(trifluoromethylsulfonyl)aniline
CID 167955272
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
N-[4-(2-methylmorpholin-4-yl)phenyl]-3-methylsulfonyl-2-nitroaniline
CID 133414078
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
CID 95634857

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide (CID 91661182) is N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N2CCOC(C)C2)cc1.
What is the InChIKey of N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide?
The InChIKey is TVAYOEQMUCXYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-19(16,17)14-12-4-6-13(7-5-12)15-8-9-18-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3.
What are the key properties of N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide?
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 91661182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).