N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide

C20H17ClFN3O3S — CID 57378617

IUPACN-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C20H17ClFN3O3S/c1-29(27,28)16-8-4-14(5-9-16)17(10-13-2-6-15(22)7-3-13)20(26)25-19-12-23-11-18(21)24-19/h2-9,11-12,17H,10H2,1H3,(H,24,25,26)
InChIKeyZXUPVAOLUQFAIA-UHFFFAOYSA-N
MW433.89 g/mol
LogP3.64
Rot. Bonds6

About N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide

N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 57378617) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
PubChem CID57378617
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC NameN-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C20H17ClFN3O3S/c1-29(27,28)16-8-4-14(5-9-16)17(10-13-2-6-15(22)7-3-13)20(26)25-19-12-23-11-18(21)24-19/h2-9,11-12,17H,10H2,1H3,(H,24,25,26)
InChIKeyZXUPVAOLUQFAIA-UHFFFAOYSA-N
XLogP3.64
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide (CID 57378617) is N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2cncc(Cl)n2)cc1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is ZXUPVAOLUQFAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c1-29(27,28)16-8-4-14(5-9-16)17(10-13-2-6-15(22)7-3-13)20(26)25-19-12-23-11-18(21)24-19/h2-9,11-12,17H,10H2,1H3,(H,24,25,26).
What are the key properties of N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 433.89 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 57378617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).