4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C24H25ClN4O4S2 — CID 59466296

IUPAC4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(Cl)cc2)COCCN1[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O
InChIInChI=1S/C24H25ClN4O4S2/c1-24(17-2-4-18(25)5-3-17)16-33-14-13-29(24)21-10-12-28(22(21)30)19-6-8-20(9-7-19)35(31,32)27-23-26-11-15-34-23/h2-9,11,15,21H,10,12-14,16H2,1H3,(H,26,27)/t21-,24?/m0/s1
InChIKeyYJBGQUCYWRPHQU-XEGCMXMBSA-N
MW533.08 g/mol
LogP3.95
Rot. Bonds6

About 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59466296) has the molecular formula C24H25ClN4O4S2 and a molecular weight of 533.08 g/mol. Its IUPAC name is 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59466296
Molecular FormulaC24H25ClN4O4S2
Molecular Weight533.08 g/mol
Exact Mass532.10
IUPAC Name4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(Cl)cc2)COCCN1[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O
InChIInChI=1S/C24H25ClN4O4S2/c1-24(17-2-4-18(25)5-3-17)16-33-14-13-29(24)21-10-12-28(22(21)30)19-6-8-20(9-7-19)35(31,32)27-23-26-11-15-34-23/h2-9,11,15,21H,10,12-14,16H2,1H3,(H,26,27)/t21-,24?/m0/s1
InChIKeyYJBGQUCYWRPHQU-XEGCMXMBSA-N
XLogP3.95
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.08
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59466296) is 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC1(c2ccc(Cl)cc2)COCCN1[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.
What is the InChIKey of 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YJBGQUCYWRPHQU-XEGCMXMBSA-N. The full InChI is InChI=1S/C24H25ClN4O4S2/c1-24(17-2-4-18(25)5-3-17)16-33-14-13-29(24)21-10-12-28(22(21)30)19-6-8-20(9-7-19)35(31,32)27-23-26-11-15-34-23/h2-9,11,15,21H,10,12-14,16H2,1H3,(H,26,27)/t21-,24?/m0/s1.
What are the key properties of 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 533.08 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[3-(4-chlorophenyl)-3-methylmorpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59466296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).