N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C20H23ClN2O4S — CID 2085561

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-15-2-7-18(28(25,26)23-10-12-27-13-11-23)14-19(15)20(24)22-9-8-16-3-5-17(21)6-4-16/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyCWCOZOFLMNHCRT-UHFFFAOYSA-N
MW422.93 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2085561) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2085561
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-15-2-7-18(28(25,26)23-10-12-27-13-11-23)14-19(15)20(24)22-9-8-16-3-5-17(21)6-4-16/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyCWCOZOFLMNHCRT-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-(5-sulfamoyl-indan-2-yl)-benzamide
CID 44395685
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2354229
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2531912
4-methyl-3-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 4309860
4-chloro-3-(dimethylsulfamoyl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4840418
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
[4-Chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
CID 4877373
3-chloro-N-(4-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)benzyl)benzenesulfonamide
CID 984483
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 16385430
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-sulfamoylbenzamide
CID 57888938
N-[2-(3-chlorophenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71451231
N-[2-(4-chlorophenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71460264

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 2085561) is N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CWCOZOFLMNHCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15-2-7-18(28(25,26)23-10-12-27-13-11-23)14-19(15)20(24)22-9-8-16-3-5-17(21)6-4-16/h2-7,14H,8-13H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 422.93 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2085561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).