2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

C20H22ClFN2O4S — CID 55369853

IUPAC2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClFN2O4S/c21-16-3-7-18(8-4-16)29(26,27)14-20(25)23-13-19(24-9-11-28-12-10-24)15-1-5-17(22)6-2-15/h1-8,19H,9-14H2,(H,23,25)
InChIKeyLSYXFYGRUHGUFN-UHFFFAOYSA-N
MW440.92 g/mol
LogP2.44
Rot. Bonds7

About 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 55369853) has the molecular formula C20H22ClFN2O4S and a molecular weight of 440.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID55369853
Molecular FormulaC20H22ClFN2O4S
Molecular Weight440.92 g/mol
Exact Mass440.10
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClFN2O4S/c21-16-3-7-18(8-4-16)29(26,27)14-20(25)23-13-19(24-9-11-28-12-10-24)15-1-5-17(22)6-2-15/h1-8,19H,9-14H2,(H,23,25)
InChIKeyLSYXFYGRUHGUFN-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 42905428
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574928
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27811203
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 60597341
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (CID 55369853) is 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is LSYXFYGRUHGUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O4S/c21-16-3-7-18(8-4-16)29(26,27)14-20(25)23-13-19(24-9-11-28-12-10-24)15-1-5-17(22)6-2-15/h1-8,19H,9-14H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 440.92 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 55369853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).