4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

C16H26N2O4S — CID 110710600

IUPAC4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CC2CN(C)CCO2)cc1C
InChIInChI=1S/C16H26N2O4S/c1-12-9-16(13(2)8-15(12)21-5)23(19,20)18(4)11-14-10-17(3)6-7-22-14/h8-9,14H,6-7,10-11H2,1-5H3
InChIKeyIFTHFMLOGBKQQP-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.26
Rot. Bonds5

About 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110710600) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110710600
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CC2CN(C)CCO2)cc1C
InChIInChI=1S/C16H26N2O4S/c1-12-9-16(13(2)8-15(12)21-5)23(19,20)18(4)11-14-10-17(3)6-7-22-14/h8-9,14H,6-7,10-11H2,1-5H3
InChIKeyIFTHFMLOGBKQQP-UHFFFAOYSA-N
XLogP1.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710630
4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 110753463
[(3R,4R)-4-[(dimethylamino)methyl]-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 86283254
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110710626
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710510
N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 28707568
N-[4-[methyl-[(4-methylmorpholin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 110710615
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
2,4-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709979
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 110710600) is 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CC2CN(C)CCO2)cc1C.
What is the InChIKey of 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is IFTHFMLOGBKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-12-9-16(13(2)8-15(12)21-5)23(19,20)18(4)11-14-10-17(3)6-7-22-14/h8-9,14H,6-7,10-11H2,1-5H3.
What are the key properties of 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).