4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one

C18H17N3O4S — CID 7335367

IUPAC4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1C[C@H](c2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc2)CN1
InChIInChI=1S/C18H17N3O4S/c22-17-9-13(10-19-17)12-5-7-14(8-6-12)26(24,25)21-11-18(23)20-15-3-1-2-4-16(15)21/h1-8,13H,9-11H2,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyAHJRZSHWYWEKDG-ZDUSSCGKSA-N
MW371.42 g/mol
LogP1.44
Rot. Bonds3

About 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one

4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 7335367) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID7335367
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1C[C@H](c2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc2)CN1
InChIInChI=1S/C18H17N3O4S/c22-17-9-13(10-19-17)12-5-7-14(8-6-12)26(24,25)21-11-18(23)20-15-3-1-2-4-16(15)21/h1-8,13H,9-11H2,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyAHJRZSHWYWEKDG-ZDUSSCGKSA-N
XLogP1.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
CID 1258060
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
(4S)-4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42558865
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60723912
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 107650918
4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 79369663

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one (CID 7335367) is 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1C[C@H](c2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc2)CN1.
What is the InChIKey of 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is AHJRZSHWYWEKDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-17-9-13(10-19-17)12-5-7-14(8-6-12)26(24,25)21-11-18(23)20-15-3-1-2-4-16(15)21/h1-8,13H,9-11H2,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 371.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 7335367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).