2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

C21H24Cl2FN3O4S — CID 22275752

IUPAC2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2FN3O4S/c1-15(21(28)25-8-9-26-10-12-31-13-11-26)27(20-14-17(23)4-7-19(20)24)32(29,30)18-5-2-16(22)3-6-18/h2-7,14-15H,8-13H2,1H3,(H,25,28)
InChIKeyUVCXARBEKADHDK-UHFFFAOYSA-N
MW504.41 g/mol
LogP3.16
Rot. Bonds8

About 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 22275752) has the molecular formula C21H24Cl2FN3O4S and a molecular weight of 504.41 g/mol. Its IUPAC name is 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID22275752
Molecular FormulaC21H24Cl2FN3O4S
Molecular Weight504.41 g/mol
Exact Mass503.08
IUPAC Name2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2FN3O4S/c1-15(21(28)25-8-9-26-10-12-31-13-11-26)27(20-14-17(23)4-7-19(20)24)32(29,30)18-5-2-16(22)3-6-18/h2-7,14-15H,8-13H2,1H3,(H,25,28)
InChIKeyUVCXARBEKADHDK-UHFFFAOYSA-N
XLogP3.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440
(2R)-N-butyl-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanamide;methane
CID 157477834
2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 50944624
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 23401815
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
CID 158926383
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 132659439
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 22275637
2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide
CID 142014288
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 133149539
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide
CID 91551912
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 22275752) is 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is CC(C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is UVCXARBEKADHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2FN3O4S/c1-15(21(28)25-8-9-26-10-12-31-13-11-26)27(20-14-17(23)4-7-19(20)24)32(29,30)18-5-2-16(22)3-6-18/h2-7,14-15H,8-13H2,1H3,(H,25,28).
What are the key properties of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 504.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 22275752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).