N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one

C33H30FN5O10S5 — CID 158951404

IUPACN-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1ccc(S(=O)(=O)Cc2nccs2)cc1.O=C1[C@H](O)CCN1c1ccc(S(=O)(=O)N(c2nccs2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O6S3.C14H14N2O4S2/c20-13-1-5-15(6-2-13)31(26,27)23(19-21-10-12-30-19)32(28,29)16-7-3-14(4-8-16)22-11-9-17(24)18(22)25;17-12-5-7-16(14(12)18)10-1-3-11(4-2-10)22(19,20)9-13-15-6-8-21-13/h1-8,10,12,17,24H,9,11H2;1-4,6,8,12,17H,5,7,9H2/t17-;12-/m11/s1
InChIKeyJLLYUCGRVABSTL-DMIYZGGPSA-N
MW835.96 g/mol
LogP3.18
Rot. Bonds10

About N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one

N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one (PubChem CID 158951404) has the molecular formula C33H30FN5O10S5 and a molecular weight of 835.96 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
PubChem CID158951404
Molecular FormulaC33H30FN5O10S5
Molecular Weight835.96 g/mol
Exact Mass835.06
IUPAC NameN-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1ccc(S(=O)(=O)Cc2nccs2)cc1.O=C1[C@H](O)CCN1c1ccc(S(=O)(=O)N(c2nccs2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O6S3.C14H14N2O4S2/c20-13-1-5-15(6-2-13)31(26,27)23(19-21-10-12-30-19)32(28,29)16-7-3-14(4-8-16)22-11-9-17(24)18(22)25;17-12-5-7-16(14(12)18)10-1-3-11(4-2-10)22(19,20)9-13-15-6-8-21-13/h1-8,10,12,17,24H,9,11H2;1-4,6,8,12,17H,5,7,9H2/t17-;12-/m11/s1
InChIKeyJLLYUCGRVABSTL-DMIYZGGPSA-N
XLogP3.18
TPSA212.52 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.96
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 58238319
4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 158042239
3-[2-(2,6-dichlorophenyl)ethylamino]-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 58215366
(3S)-3-[(3R)-3-(3-chloro-5-methylphenyl)piperidin-1-yl]-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 58049442
4-(5-fluoro-2-isocyanophenyl)-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazine
CID 159927665
4-(5-fluoro-2-methylphenyl)-7-(1,3-thiazol-2-ylmethylsulfonyl)-2,3-dihydro-1,4-benzoxazine
CID 158670556
4-[3-(5,6-dichloro-4,5-dihydrobenzimidazol-1-yl)-2-oxopyrrolidin-1-yl]-N-prop-2-enyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 67478419
4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215217
(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one
CID 59593460
1-[4-[methyl(1,3-thiazol-2-ylmethyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 154744361
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90767532
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one (CID 158951404) is N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one is O=C1[C@H](O)CCN1c1ccc(S(=O)(=O)Cc2nccs2)cc1.O=C1[C@H](O)CCN1c1ccc(S(=O)(=O)N(c2nccs2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
The InChIKey is JLLYUCGRVABSTL-DMIYZGGPSA-N. The full InChI is InChI=1S/C19H16FN3O6S3.C14H14N2O4S2/c20-13-1-5-15(6-2-13)31(26,27)23(19-21-10-12-30-19)32(28,29)16-7-3-14(4-8-16)22-11-9-17(24)18(22)25;17-12-5-7-16(14(12)18)10-1-3-11(4-2-10)22(19,20)9-13-15-6-8-21-13/h1-8,10,12,17,24H,9,11H2;1-4,6,8,12,17H,5,7,9H2/t17-;12-/m11/s1.
What are the key properties of N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one has a molecular weight of 835.96 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 158951404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).