2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

C19H16Cl2FN3O4S — CID 11705521

IUPAC2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)NCc1cccc(F)c1
InChIInChI=1S/C19H16Cl2FN3O4S/c20-14-5-2-6-16(18(14)21)30(28,29)25-8-7-23-19(27)15(25)10-17(26)24-11-12-3-1-4-13(22)9-12/h1-9,15H,10-11H2,(H,23,27)(H,24,26)/t15-/m1/s1
InChIKeyDWPDOPVAIIDFNH-OAHLLOKOSA-N
MW472.33 g/mol
LogP2.80
Rot. Bonds6

About 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 11705521) has the molecular formula C19H16Cl2FN3O4S and a molecular weight of 472.33 g/mol. Its IUPAC name is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID11705521
Molecular FormulaC19H16Cl2FN3O4S
Molecular Weight472.33 g/mol
Exact Mass471.02
IUPAC Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)NCc1cccc(F)c1
InChIInChI=1S/C19H16Cl2FN3O4S/c20-14-5-2-6-16(18(14)21)30(28,29)25-8-7-23-19(27)15(25)10-17(26)24-11-12-3-1-4-13(22)9-12/h1-9,15H,10-11H2,(H,23,27)(H,24,26)/t15-/m1/s1
InChIKeyDWPDOPVAIIDFNH-OAHLLOKOSA-N
XLogP2.80
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
CID 57396447
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57398238
N-{(2S)-1-[(3,4-dichlorobenzyl)amino]-1-oxopropan-2-yl}-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585797
1-(2,3-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-phenylethyl]piperidine-4-carboxamide
CID 4884824
N,N'-dibenzyl-2-[(2,5-dichlorophenyl)sulfonylamino]pentanediamide
CID 44565375
N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 44565414
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 2244184
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 11677483
4-acetyl-1-(2-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25056321
4-acetyl-1-(3-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25056847
4-acetyl-1-(3,4-dichlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25057363
2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 68679141

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CID 11705521) is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide is O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)NCc1cccc(F)c1.
What is the InChIKey of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is DWPDOPVAIIDFNH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O4S/c20-14-5-2-6-16(18(14)21)30(28,29)25-8-7-23-19(27)15(25)10-17(26)24-11-12-3-1-4-13(22)9-12/h1-9,15H,10-11H2,(H,23,27)(H,24,26)/t15-/m1/s1.
What are the key properties of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 472.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 11705521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).