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

C18H19N3O4S — CID 24622217

IUPAC2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCCCc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C18H19N3O4S/c22-17-18(23)21-16-12-14(9-10-15(16)20-17)26(24,25)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2,(H,20,22)(H,21,23)
InChIKeySQSVQFOQYXUOCM-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.52
Rot. Bonds7

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

2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 24622217) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID24622217
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCCCc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C18H19N3O4S/c22-17-18(23)21-16-12-14(9-10-15(16)20-17)26(24,25)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2,(H,20,22)(H,21,23)
InChIKeySQSVQFOQYXUOCM-UHFFFAOYSA-N
XLogP1.52
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
benzyl 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoate
CID 154361009
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate
CID 31068036
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetic acid
CID 2064173
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide (CID 24622217) is 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCCCc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is SQSVQFOQYXUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-17-18(23)21-16-12-14(9-10-15(16)20-17)26(24,25)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2,(H,20,22)(H,21,23).
What are the key properties of 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide?
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 24622217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).