N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide

C19H21ClFN3O4S — CID 4884544

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClFN3O4S/c1-13-2-3-14(11-18(13)29(26,27)24-6-8-28-9-7-24)22-12-19(25)23-15-4-5-17(21)16(20)10-15/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyKHIWRNWCTVDZIA-UHFFFAOYSA-N
MW441.91 g/mol
LogP2.86
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 4884544) has the molecular formula C19H21ClFN3O4S and a molecular weight of 441.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID4884544
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.91 g/mol
Exact Mass441.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClFN3O4S/c1-13-2-3-14(11-18(13)29(26,27)24-6-8-28-9-7-24)22-12-19(25)23-15-4-5-17(21)16(20)10-15/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyKHIWRNWCTVDZIA-UHFFFAOYSA-N
XLogP2.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-morpholin-4-ylanilino)acetamide
CID 3876432
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide
CID 3946921
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)methylamino]propanamide
CID 4876966
2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4881794
2-chloro-N-(4-methyl-3-(morpholinosulfonyl)phenyl)benzamide
CID 7929121
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 15945257
2-[1-(2-chlorophenyl)ethylamino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 16309185
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24980848
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24982336
3-chloro-N-(4-methyl-3-(morpholinosulfonyl)phenyl)benzamide
CID 25434865
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 44522274

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide (CID 4884544) is N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide is Cc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is KHIWRNWCTVDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O4S/c1-13-2-3-14(11-18(13)29(26,27)24-6-8-28-9-7-24)22-12-19(25)23-15-4-5-17(21)16(20)10-15/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 441.91 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 4884544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).