4-ethoxy-N-quinolin-3-ylbenzenesulfonamide

C17H16N2O3S — CID 2933345

IUPAC4-ethoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-2-22-15-7-9-16(10-8-15)23(20,21)19-14-11-13-5-3-4-6-17(13)18-12-14/h3-12,19H,2H2,1H3
InChIKeyXQTBSEYJZANZKI-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.43
Rot. Bonds5

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

4-ethoxy-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 2933345) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-quinolin-3-ylbenzenesulfonamide
PubChem CID2933345
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-ethoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-2-22-15-7-9-16(10-8-15)23(20,21)19-14-11-13-5-3-4-6-17(13)18-12-14/h3-12,19H,2H2,1H3
InChIKeyXQTBSEYJZANZKI-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Methoxy-8-quinolinyl)-4-methylbenzenesulfonamide
CID 130606
2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide
CID 2931238
N-hydroxy-2-[[4-methoxybenzenesulfonyl](2-quinolinylmethyl)amino]acetamide
CID 22907131
Hexahydro quinoline derivative 1
CID 121325265
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
Substituted phenylsulfonyltryptamine, 11i
CID 23655464
N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121325256
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-(pyridin-2-ylmethyl)ethanamine
CID 164611660
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide (CID 2933345) is 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is XQTBSEYJZANZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-2-22-15-7-9-16(10-8-15)23(20,21)19-14-11-13-5-3-4-6-17(13)18-12-14/h3-12,19H,2H2,1H3.
What are the key properties of 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide?
4-ethoxy-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 2933345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).