4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide

C18H18N2O3S — CID 66485862

IUPAC4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C
InChIInChI=1S/C18H18N2O3S/c1-3-23-18-9-8-16(10-13(18)2)24(21,22)20-15-11-14-6-4-5-7-17(14)19-12-15/h4-12,20H,3H2,1-2H3
InChIKeyHTMAPFARUNSBLN-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.74
Rot. Bonds5

About 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide

4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 66485862) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
PubChem CID66485862
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C
InChIInChI=1S/C18H18N2O3S/c1-3-23-18-9-8-16(10-13(18)2)24(21,22)20-15-11-14-6-4-5-7-17(14)19-12-15/h4-12,20H,3H2,1-2H3
InChIKeyHTMAPFARUNSBLN-UHFFFAOYSA-N
XLogP3.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485889
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 154781020
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide (CID 66485862) is 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is HTMAPFARUNSBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-18-9-8-16(10-13(18)2)24(21,22)20-15-11-14-6-4-5-7-17(14)19-12-15/h4-12,20H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 66485862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).