N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C21H28N2O4S — CID 112846379

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-14-11-21(15(2)10-20(14)26-5)28(24,25)22-18-8-6-7-9-19(18)23-12-16(3)27-17(4)13-23/h6-11,16-17,22H,12-13H2,1-5H3
InChIKeyZIJYHMWPDZMFLO-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 112846379) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID112846379
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2N2CC(C)OC(C)C2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-14-11-21(15(2)10-20(14)26-5)28(24,25)22-18-8-6-7-9-19(18)23-12-16(3)27-17(4)13-23/h6-11,16-17,22H,12-13H2,1-5H3
InChIKeyZIJYHMWPDZMFLO-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 112846390
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
5-bromo-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-2-methoxybenzenesulfonamide
CID 51963337
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
CID 91824586
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline
CID 97024254
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 112846379) is N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccccc2N2CC(C)OC(C)C2)cc1C.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZIJYHMWPDZMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-11-21(15(2)10-20(14)26-5)28(24,25)22-18-8-6-7-9-19(18)23-12-16(3)27-17(4)13-23/h6-11,16-17,22H,12-13H2,1-5H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 404.53 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112846379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).