4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C65H71Cl4FN12O9S6 — CID 159537394

IUPAC4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESO=C1[C@@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1F.O=C1[C@@H](N2CCc3c2ccc(Cl)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@H](N2CCCc3cccc(Cl)c32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H20ClFN4O3S2.C22H21ClN4O3S2.C21H18Cl2N4O3S2.6H2/c23-15-3-5-18-14(12-15)2-1-9-27(18)20-7-10-28(21(20)29)19-6-4-16(13-17(19)24)33(30,31)26-22-25-8-11-32-22;23-18-5-1-3-15-4-2-12-27(20(15)18)19-10-13-26(21(19)28)16-6-8-17(9-7-16)32(29,30)25-22-24-11-14-31-22;22-16-5-6-17-15(19(16)23)7-10-27(17)18-8-11-26(20(18)28)13-1-3-14(4-2-13)32(29,30)25-21-24-9-12-31-21;;;;;;/h3-6,8,11-13,20H,1-2,7,9-10H2,(H,25,26);1,3,5-9,11,14,19H,2,4,10,12-13H2,(H,24,25);1-6,9,12,18H,7-8,10-11H2,(H,24,25);6*1H/t20-;19-;18-;;;;;;/m010....../s1
InChIKeyMDTMPKHVBBNDKJ-KFOWSRTISA-N
MW1517.57 g/mol
LogP14.34
Rot. Bonds15

About 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159537394) has the molecular formula C65H71Cl4FN12O9S6 and a molecular weight of 1517.57 g/mol. Its IUPAC name is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID159537394
Molecular FormulaC65H71Cl4FN12O9S6
Molecular Weight1517.57 g/mol
Exact Mass1514.25
IUPAC Name4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESO=C1[C@@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1F.O=C1[C@@H](N2CCc3c2ccc(Cl)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@H](N2CCCc3cccc(Cl)c32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H20ClFN4O3S2.C22H21ClN4O3S2.C21H18Cl2N4O3S2.6H2/c23-15-3-5-18-14(12-15)2-1-9-27(18)20-7-10-28(21(20)29)19-6-4-16(13-17(19)24)33(30,31)26-22-25-8-11-32-22;23-18-5-1-3-15-4-2-12-27(20(15)18)19-10-13-26(21(19)28)16-6-8-17(9-7-16)32(29,30)25-22-24-11-14-31-22;22-16-5-6-17-15(19(16)23)7-10-27(17)18-8-11-26(20(18)28)13-1-3-14(4-2-13)32(29,30)25-21-24-9-12-31-21;;;;;;/h3-6,8,11-13,20H,1-2,7,9-10H2,(H,25,26);1,3,5-9,11,14,19H,2,4,10,12-13H2,(H,24,25);1-6,9,12,18H,7-8,10-11H2,(H,24,25);6*1H/t20-;19-;18-;;;;;;/m010....../s1
InChIKeyMDTMPKHVBBNDKJ-KFOWSRTISA-N
XLogP14.34
TPSA247.83 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001517.57
LogP ≤ 514.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159537394) is 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is O=C1[C@@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1F.O=C1[C@@H](N2CCc3c2ccc(Cl)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@H](N2CCCc3cccc(Cl)c32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is MDTMPKHVBBNDKJ-KFOWSRTISA-N. The full InChI is InChI=1S/C22H20ClFN4O3S2.C22H21ClN4O3S2.C21H18Cl2N4O3S2.6H2/c23-15-3-5-18-14(12-15)2-1-9-27(18)20-7-10-28(21(20)29)19-6-4-16(13-17(19)24)33(30,31)26-22-25-8-11-32-22;23-18-5-1-3-15-4-2-12-27(20(15)18)19-10-13-26(21(19)28)16-6-8-17(9-7-16)32(29,30)25-22-24-11-14-31-22;22-16-5-6-17-15(19(16)23)7-10-27(17)18-8-11-26(20(18)28)13-1-3-14(4-2-13)32(29,30)25-21-24-9-12-31-21;;;;;;/h3-6,8,11-13,20H,1-2,7,9-10H2,(H,25,26);1,3,5-9,11,14,19H,2,4,10,12-13H2,(H,24,25);1-6,9,12,18H,7-8,10-11H2,(H,24,25);6*1H/t20-;19-;18-;;;;;;/m010....../s1.
What are the key properties of 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1517.57 g/mol, XLogP of 14.34, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159537394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).