N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

C19H21N3O4S — CID 55350363

IUPACN-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-13(2)21-27(25,26)15-10-8-14(9-11-15)19(24)22-12-18(23)20-16-6-4-5-7-17(16)22/h4-11,13,21H,3,12H2,1-2H3,(H,20,23)
InChIKeyCYHIUGYQHBSKEZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.36
Rot. Bonds5

About N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (PubChem CID 55350363) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
PubChem CID55350363
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-13(2)21-27(25,26)15-10-8-14(9-11-15)19(24)22-12-18(23)20-16-6-4-5-7-17(16)22/h4-11,13,21H,3,12H2,1-2H3,(H,20,23)
InChIKeyCYHIUGYQHBSKEZ-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (CID 55350363) is N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The InChIKey is CYHIUGYQHBSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-13(2)21-27(25,26)15-10-8-14(9-11-15)19(24)22-12-18(23)20-16-6-4-5-7-17(16)22/h4-11,13,21H,3,12H2,1-2H3,(H,20,23).
What are the key properties of N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55350363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).