4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide

C24H19ClN4O4S — CID 92895655

IUPAC4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
SMILESO=C1C[C@H](c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)CN1c1ccccc1
InChIInChI=1S/C24H19ClN4O4S/c25-18-8-12-21(13-9-18)34(31,32)28-19-10-6-16(7-11-19)23-26-24(33-27-23)17-14-22(30)29(15-17)20-4-2-1-3-5-20/h1-13,17,28H,14-15H2/t17-/m0/s1
InChIKeyWAWAVWNMHDMDPA-KRWDZBQOSA-N
MW494.96 g/mol
LogP4.71
Rot. Bonds6

About 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide

4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide (PubChem CID 92895655) has the molecular formula C24H19ClN4O4S and a molecular weight of 494.96 g/mol. Its IUPAC name is 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
PubChem CID92895655
Molecular FormulaC24H19ClN4O4S
Molecular Weight494.96 g/mol
Exact Mass494.08
IUPAC Name4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
SMILESO=C1C[C@H](c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)CN1c1ccccc1
InChIInChI=1S/C24H19ClN4O4S/c25-18-8-12-21(13-9-18)34(31,32)28-19-10-6-16(7-11-19)23-26-24(33-27-23)17-14-22(30)29(15-17)20-4-2-1-3-5-20/h1-13,17,28H,14-15H2/t17-/m0/s1
InChIKeyWAWAVWNMHDMDPA-KRWDZBQOSA-N
XLogP4.71
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823113
(4S)-4-[3-[4-(4-chlorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 92880397
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 92895653
(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97043823
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
N-[4-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 46380460
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
(4S)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 41014966
(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492744

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide (CID 92895655) is 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide is O=C1C[C@H](c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)CN1c1ccccc1.
What is the InChIKey of 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
The InChIKey is WAWAVWNMHDMDPA-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H19ClN4O4S/c25-18-8-12-21(13-9-18)34(31,32)28-19-10-6-16(7-11-19)23-26-24(33-27-23)17-14-22(30)29(15-17)20-4-2-1-3-5-20/h1-13,17,28H,14-15H2/t17-/m0/s1.
What are the key properties of 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide?
4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide has a molecular weight of 494.96 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 92895655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).