N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

C23H27N3O4S — CID 16864013

IUPACN-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H27N3O4S/c1-2-26(18-8-4-3-5-9-18)31(29,30)19-14-12-17(13-15-19)23(28)25-16-22(27)24-20-10-6-7-11-21(20)25/h6-7,10-15,18H,2-5,8-9,16H2,1H3,(H,24,27)
InChIKeyKAYSMWJERNCYNM-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.63
Rot. Bonds5

About N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (PubChem CID 16864013) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
PubChem CID16864013
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H27N3O4S/c1-2-26(18-8-4-3-5-9-18)31(29,30)19-14-12-17(13-15-19)23(28)25-16-22(27)24-20-10-6-7-11-21(20)25/h6-7,10-15,18H,2-5,8-9,16H2,1H3,(H,24,27)
InChIKeyKAYSMWJERNCYNM-UHFFFAOYSA-N
XLogP3.63
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-ethyl-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-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (CID 16864013) is N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The InChIKey is KAYSMWJERNCYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-2-26(18-8-4-3-5-9-18)31(29,30)19-14-12-17(13-15-19)23(28)25-16-22(27)24-20-10-6-7-11-21(20)25/h6-7,10-15,18H,2-5,8-9,16H2,1H3,(H,24,27).
What are the key properties of N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 16864013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).