N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide

C23H21N3O4S — CID 6619220

IUPACN-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C23H21N3O4S/c27-22-23(28)25-21-15-19(11-12-20(21)24-22)31(29,30)26(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,24,27)(H,25,28)
InChIKeyGFLCGCMNJLNPQW-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.65
Rot. Bonds7

About N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide

N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 6619220) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID6619220
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C23H21N3O4S/c27-22-23(28)25-21-15-19(11-12-20(21)24-22)31(29,30)26(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,24,27)(H,25,28)
InChIKeyGFLCGCMNJLNPQW-UHFFFAOYSA-N
XLogP2.65
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide (CID 6619220) is N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is GFLCGCMNJLNPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c27-22-23(28)25-21-15-19(11-12-20(21)24-22)31(29,30)26(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,24,27)(H,25,28).
What are the key properties of N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 435.51 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dioxo-N-(2-phenylethyl)-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 6619220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).