N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide

C22H25FN4O4S — CID 22433280

IUPACN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)ccc1F
InChIInChI=1S/C22H25FN4O4S/c1-14-11-15(7-8-16(14)23)32(30,31)24-17-12-19-20(26(3)22(29)21(28)25(19)2)13-18(17)27-9-5-4-6-10-27/h7-8,11-13,24H,4-6,9-10H2,1-3H3
InChIKeyYSOOPGQBYBULGA-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.48
Rot. Bonds4

About N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide

N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 22433280) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID22433280
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)ccc1F
InChIInChI=1S/C22H25FN4O4S/c1-14-11-15(7-8-16(14)23)32(30,31)24-17-12-19-20(26(3)22(29)21(28)25(19)2)13-18(17)27-9-5-4-6-10-27/h7-8,11-13,24H,4-6,9-10H2,1-3H3
InChIKeyYSOOPGQBYBULGA-UHFFFAOYSA-N
XLogP2.48
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
CID 20946710
N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide
CID 20946713
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide
CID 78787086
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
4-fluoro-3-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 100696551
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040294
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 2133624

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide (CID 22433280) is N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)ccc1F.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is YSOOPGQBYBULGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-14-11-15(7-8-16(14)23)32(30,31)24-17-12-19-20(26(3)22(29)21(28)25(19)2)13-18(17)27-9-5-4-6-10-27/h7-8,11-13,24H,4-6,9-10H2,1-3H3.
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 460.53 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 22433280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).