5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide

C22H25ClN4O5S — CID 22433281

IUPAC5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H25ClN4O5S/c1-25-17-12-15(24-33(30,31)20-11-14(23)7-8-19(20)32-3)16(27-9-5-4-6-10-27)13-18(17)26(2)22(29)21(25)28/h7-8,11-13,24H,4-6,9-10H2,1-3H3
InChIKeyOQCGNDZDLGRDBK-UHFFFAOYSA-N
MW492.99 g/mol
LogP2.69
Rot. Bonds5

About 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide

5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide (PubChem CID 22433281) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide
PubChem CID22433281
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC Name5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H25ClN4O5S/c1-25-17-12-15(24-33(30,31)20-11-14(23)7-8-19(20)32-3)16(27-9-5-4-6-10-27)13-18(17)26(2)22(29)21(25)28/h7-8,11-13,24H,4-6,9-10H2,1-3H3
InChIKeyOQCGNDZDLGRDBK-UHFFFAOYSA-N
XLogP2.69
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide (CID 22433281) is 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide?
The InChIKey is OQCGNDZDLGRDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c1-25-17-12-15(24-33(30,31)20-11-14(23)7-8-19(20)32-3)16(27-9-5-4-6-10-27)13-18(17)26(2)22(29)21(25)28/h7-8,11-13,24H,4-6,9-10H2,1-3H3.
What are the key properties of 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide?
5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide has a molecular weight of 492.99 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 22433281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).