N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide

C22H26Cl2N2O4S — CID 46588591

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N(C)C(C)c3ccc(Cl)cc3Cl)c2)CC(C)O1
InChIInChI=1S/C22H26Cl2N2O4S/c1-14-12-26(13-15(2)30-14)31(28,29)19-7-5-6-17(10-19)22(27)25(4)16(3)20-9-8-18(23)11-21(20)24/h5-11,14-16H,12-13H2,1-4H3
InChIKeyRTKYRCMAQYOHMX-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide

N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide (PubChem CID 46588591) has the molecular formula C22H26Cl2N2O4S and a molecular weight of 485.43 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
PubChem CID46588591
Molecular FormulaC22H26Cl2N2O4S
Molecular Weight485.43 g/mol
Exact Mass484.10
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N(C)C(C)c3ccc(Cl)cc3Cl)c2)CC(C)O1
InChIInChI=1S/C22H26Cl2N2O4S/c1-14-12-26(13-15(2)30-14)31(28,29)19-7-5-6-17(10-19)22(27)25(4)16(3)20-9-8-18(23)11-21(20)24/h5-11,14-16H,12-13H2,1-4H3
InChIKeyRTKYRCMAQYOHMX-UHFFFAOYSA-N
XLogP4.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 134054858
(4-chlorophenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764523
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide
CID 60596722
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16560470
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methylbenzamide
CID 98621805
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421
[2-(2,5-dichlorophenyl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 23935542
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide (CID 46588591) is N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)N(C)C(C)c3ccc(Cl)cc3Cl)c2)CC(C)O1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The InChIKey is RTKYRCMAQYOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O4S/c1-14-12-26(13-15(2)30-14)31(28,29)19-7-5-6-17(10-19)22(27)25(4)16(3)20-9-8-18(23)11-21(20)24/h5-11,14-16H,12-13H2,1-4H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide has a molecular weight of 485.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 46588591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).