4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C23H22Cl2N4O4S2 — CID 76597233

IUPAC4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H22Cl2N4O4S2/c24-18-6-1-15(13-19(18)25)21-14-28(10-11-33-21)20-7-9-29(22(20)30)16-2-4-17(5-3-16)35(31,32)27-23-26-8-12-34-23/h1-6,8,12-13,20-21H,7,9-11,14H2,(H,26,27)
InChIKeyDSJIGGJAPOBXIW-UHFFFAOYSA-N
MW553.49 g/mol
LogP4.43
Rot. Bonds6

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

4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 76597233) has the molecular formula C23H22Cl2N4O4S2 and a molecular weight of 553.49 g/mol. Its IUPAC name is 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID76597233
Molecular FormulaC23H22Cl2N4O4S2
Molecular Weight553.49 g/mol
Exact Mass552.05
IUPAC Name4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H22Cl2N4O4S2/c24-18-6-1-15(13-19(18)25)21-14-28(10-11-33-21)20-7-9-29(22(20)30)16-2-4-17(5-3-16)35(31,32)27-23-26-8-12-34-23/h1-6,8,12-13,20-21H,7,9-11,14H2,(H,26,27)
InChIKeyDSJIGGJAPOBXIW-UHFFFAOYSA-N
XLogP4.43
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 76597233) is 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1C(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DSJIGGJAPOBXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O4S2/c24-18-6-1-15(13-19(18)25)21-14-28(10-11-33-21)20-7-9-29(22(20)30)16-2-4-17(5-3-16)35(31,32)27-23-26-8-12-34-23/h1-6,8,12-13,20-21H,7,9-11,14H2,(H,26,27).
What are the key properties of 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 553.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 76597233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).