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

C15H12ClN3O4S — CID 129274479

IUPACN-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H12ClN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyGWMWUMYVUVOLMP-UHFFFAOYSA-N
MW365.80 g/mol
LogP1.69
Rot. Bonds3

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

N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 129274479) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID129274479
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC NameN-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H12ClN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyGWMWUMYVUVOLMP-UHFFFAOYSA-N
XLogP1.69
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 51.69
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-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 129274479) is N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is GWMWUMYVUVOLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 365.80 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 129274479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).