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

C15H11ClFN3O4S — CID 20914014

IUPACN-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H11ClFN3O4S/c1-7-4-11-12(19-15(22)14(21)18-11)6-13(7)25(23,24)20-10-3-2-8(16)5-9(10)17/h2-6,20H,1H3,(H,18,21)(H,19,22)
InChIKeyUVWYAVSRPYLLQS-UHFFFAOYSA-N
MW383.79 g/mol
LogP2.12
Rot. Bonds3

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

N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 20914014) has the molecular formula C15H11ClFN3O4S and a molecular weight of 383.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID20914014
Molecular FormulaC15H11ClFN3O4S
Molecular Weight383.79 g/mol
Exact Mass383.01
IUPAC NameN-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H11ClFN3O4S/c1-7-4-11-12(19-15(22)14(21)18-11)6-13(7)25(23,24)20-10-3-2-8(16)5-9(10)17/h2-6,20H,1H3,(H,18,21)(H,19,22)
InChIKeyUVWYAVSRPYLLQS-UHFFFAOYSA-N
XLogP2.12
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 52.12
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-(5-chloro-2-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913963
N-(2-chloro-4-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913993
N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945974
7-methyl-N-(4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20914020
N-(4-cyclopropyl-2-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503343
N-[3-chloro-4-(2-fluoro-4-methylsulfonylphenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 176883710
N-(2,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913991
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
N-[4-[(7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]phenyl]acetamide
CID 46276494

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 20914014) is N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is UVWYAVSRPYLLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O4S/c1-7-4-11-12(19-15(22)14(21)18-11)6-13(7)25(23,24)20-10-3-2-8(16)5-9(10)17/h2-6,20H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 383.79 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 20914014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).