4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H15Cl2N3O4S2 — CID 58215217

IUPAC4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1[C@H](Oc2cccc(Cl)c2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H15Cl2N3O4S2/c20-14-2-1-3-15(17(14)21)28-16-8-10-24(18(16)25)12-4-6-13(7-5-12)30(26,27)23-19-22-9-11-29-19/h1-7,9,11,16H,8,10H2,(H,22,23)/t16-/m1/s1
InChIKeyLKDIMTYSSIVGJK-MRXNPFEDSA-N
MW484.39 g/mol
LogP4.43
Rot. Bonds6

About 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 58215217) has the molecular formula C19H15Cl2N3O4S2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID58215217
Molecular FormulaC19H15Cl2N3O4S2
Molecular Weight484.39 g/mol
Exact Mass482.99
IUPAC Name4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1[C@H](Oc2cccc(Cl)c2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H15Cl2N3O4S2/c20-14-2-1-3-15(17(14)21)28-16-8-10-24(18(16)25)12-4-6-13(7-5-12)30(26,27)23-19-22-9-11-29-19/h1-7,9,11,16H,8,10H2,(H,22,23)/t16-/m1/s1
InChIKeyLKDIMTYSSIVGJK-MRXNPFEDSA-N
XLogP4.43
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161476283
4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159642068
molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2-chlorophenyl)carbamate
CID 159320601
4-[3-(3-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215452
4-[2-oxo-3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465808
4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466168
4-[3-(4-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215082
[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate
CID 59466497
molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160786597
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
4-[3-(4-imidazol-1-ylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159986561
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 158878992

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 58215217) is 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1[C@H](Oc2cccc(Cl)c2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LKDIMTYSSIVGJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H15Cl2N3O4S2/c20-14-2-1-3-15(17(14)21)28-16-8-10-24(18(16)25)12-4-6-13(7-5-12)30(26,27)23-19-22-9-11-29-19/h1-7,9,11,16H,8,10H2,(H,22,23)/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 484.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 58215217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).