N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide

C17H17ClFN3O5S — CID 51364629

IUPACN-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFN3O5S/c18-13-10-12(19)3-4-14(13)20-16(23)11-21-5-1-2-15(17(21)24)28(25,26)22-6-8-27-9-7-22/h1-5,10H,6-9,11H2,(H,20,23)
InChIKeyXCQXZPSBPGQUQU-UHFFFAOYSA-N
MW429.86 g/mol
LogP1.30
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 51364629) has the molecular formula C17H17ClFN3O5S and a molecular weight of 429.86 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
PubChem CID51364629
Molecular FormulaC17H17ClFN3O5S
Molecular Weight429.86 g/mol
Exact Mass429.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFN3O5S/c18-13-10-12(19)3-4-14(13)20-16(23)11-21-5-1-2-15(17(21)24)28(25,26)22-6-8-27-9-7-22/h1-5,10H,6-9,11H2,(H,20,23)
InChIKeyXCQXZPSBPGQUQU-UHFFFAOYSA-N
XLogP1.30
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 9354365
N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784970
N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53161868
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474
N-(2-chloro-4-fluorophenyl)-2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 42889641
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510
N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2524022
N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53161871
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide (CID 51364629) is N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is XCQXZPSBPGQUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O5S/c18-13-10-12(19)3-4-14(13)20-16(23)11-21-5-1-2-15(17(21)24)28(25,26)22-6-8-27-9-7-22/h1-5,10H,6-9,11H2,(H,20,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 429.86 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 51364629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).