N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C15H12FN3O4S — CID 20913974

IUPACN-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN3O4S/c1-8-5-11-12(18-15(21)14(20)17-11)7-13(8)24(22,23)19-10-4-2-3-9(16)6-10/h2-7,19H,1H3,(H,17,20)(H,18,21)
InChIKeyRQTBMIMZCFDPTP-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.46
Rot. Bonds3

About N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 20913974) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID20913974
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC NameN-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN3O4S/c1-8-5-11-12(18-15(21)14(20)17-11)7-13(8)24(22,23)19-10-4-2-3-9(16)6-10/h2-7,19H,1H3,(H,17,20)(H,18,21)
InChIKeyRQTBMIMZCFDPTP-UHFFFAOYSA-N
XLogP1.46
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-naphthyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 38890218
N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 5115327
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3238453
N-(3-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 47952099
N-(4-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274420
N-(3-ethylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274483
N-(3-butylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274491
N-(3-fluoro-2-methylphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 1506919
6-{[4-(2,5-Dimethylphenyl)piperazin-1-yl]sulfonyl}-1,4-dihydroquinoxaline-2,3-dione
CID 3241269
N-ethyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3245226
N-ethyl-2,3-dioxo-N-phenyl-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3661670
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4110592

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 20913974) is N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is RQTBMIMZCFDPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c1-8-5-11-12(18-15(21)14(20)17-11)7-13(8)24(22,23)19-10-4-2-3-9(16)6-10/h2-7,19H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 349.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 20913974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).