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

C15H12ClN3O4S — CID 5115327

IUPACN-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1Cl
InChIInChI=1S/C15H12ClN3O4S/c1-8-2-3-9(6-11(8)16)19-24(22,23)10-4-5-12-13(7-10)18-15(21)14(20)17-12/h2-7,19H,1H3,(H,17,20)(H,18,21)
InChIKeyKFEMVDRPQHMSGA-UHFFFAOYSA-N
MW365.80 g/mol
LogP1.98
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 5115327) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID5115327
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC NameN-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1Cl
InChIInChI=1S/C15H12ClN3O4S/c1-8-2-3-9(6-11(8)16)19-24(22,23)10-4-5-12-13(7-10)18-15(21)14(20)17-12/h2-7,19H,1H3,(H,17,20)(H,18,21)
InChIKeyKFEMVDRPQHMSGA-UHFFFAOYSA-N
XLogP1.98
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 51.98
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-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 5115327) is N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is KFEMVDRPQHMSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c1-8-2-3-9(6-11(8)16)19-24(22,23)10-4-5-12-13(7-10)18-15(21)14(20)17-12/h2-7,19H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 365.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 5115327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).