N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C15H12FN3O4S — CID 4106048

IUPACN-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C15H12FN3O4S/c16-10-3-1-9(2-4-10)8-17-24(22,23)11-5-6-12-13(7-11)19-15(21)14(20)18-12/h1-7,17H,8H2,(H,18,20)(H,19,21)
InChIKeyYXYPAWAXCHRSEC-UHFFFAOYSA-N
MW349.34 g/mol
LogP0.83
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 4106048) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID4106048
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C15H12FN3O4S/c16-10-3-1-9(2-4-10)8-17-24(22,23)11-5-6-12-13(7-11)19-15(21)14(20)18-12/h1-7,17H,8H2,(H,18,20)(H,19,21)
InChIKeyYXYPAWAXCHRSEC-UHFFFAOYSA-N
XLogP0.83
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
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-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 4106048) is N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is YXYPAWAXCHRSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c16-10-3-1-9(2-4-10)8-17-24(22,23)11-5-6-12-13(7-11)19-15(21)14(20)18-12/h1-7,17H,8H2,(H,18,20)(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 349.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 4106048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).