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

C16H18Cl2N4O4S — CID 68946506

IUPAC2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)N[C@@H]1CCNC1
InChIInChI=1S/C16H18Cl2N4O4S/c17-11-2-1-3-13(15(11)18)27(25,26)22-7-6-20-16(24)12(22)8-14(23)21-10-4-5-19-9-10/h1-3,6-7,10,12,19H,4-5,8-9H2,(H,20,24)(H,21,23)/t10-,12-/m1/s1
InChIKeyRFKXBKAOOXURMH-ZYHUDNBSSA-N
MW433.32 g/mol
LogP0.82
Rot. Bonds5

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

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide (PubChem CID 68946506) has the molecular formula C16H18Cl2N4O4S and a molecular weight of 433.32 g/mol. Its IUPAC name is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide
PubChem CID68946506
Molecular FormulaC16H18Cl2N4O4S
Molecular Weight433.32 g/mol
Exact Mass432.04
IUPAC Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)N[C@@H]1CCNC1
InChIInChI=1S/C16H18Cl2N4O4S/c17-11-2-1-3-13(15(11)18)27(25,26)22-7-6-20-16(24)12(22)8-14(23)21-10-4-5-19-9-10/h1-3,6-7,10,12,19H,4-5,8-9H2,(H,20,24)(H,21,23)/t10-,12-/m1/s1
InChIKeyRFKXBKAOOXURMH-ZYHUDNBSSA-N
XLogP0.82
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57398238
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide;3,3,3-trifluoropropanoic acid
CID 68942250
2-[4-[2-[(3S)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetyl]piperazin-1-yl]acetonitrile
CID 87846665
2-[(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-3,3-dimethylpiperidin-4-yl]acetamide
CID 68945315
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3S)-6-oxopiperidin-3-yl]acetamide
CID 68942179
2-[(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1-cyclopropylazepan-4-yl)acetamide
CID 68944958
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
N-(3,3-dimethylpiperidin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide;hydrochloride
CID 68938847
2-[(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-6-[(cyclopentylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 68679788
2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide
CID 11549216
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide (CID 68946506) is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide is O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)N[C@@H]1CCNC1.
What is the InChIKey of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide?
The InChIKey is RFKXBKAOOXURMH-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H18Cl2N4O4S/c17-11-2-1-3-13(15(11)18)27(25,26)22-7-6-20-16(24)12(22)8-14(23)21-10-4-5-19-9-10/h1-3,6-7,10,12,19H,4-5,8-9H2,(H,20,24)(H,21,23)/t10-,12-/m1/s1.
What are the key properties of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide?
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide has a molecular weight of 433.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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-[(3R)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 68946506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).