5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

C19H21ClN2O5S — CID 30532854

IUPAC5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCOCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21
InChIInChI=1S/C19H21ClN2O5S/c1-26-10-9-22-16-6-5-15(11-13(16)3-8-19(22)23)21-28(24,25)18-12-14(20)4-7-17(18)27-2/h4-7,11-12,21H,3,8-10H2,1-2H3
InChIKeyKUNPSANMLJJUGH-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.08
Rot. Bonds7

About 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (PubChem CID 30532854) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
PubChem CID30532854
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCOCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21
InChIInChI=1S/C19H21ClN2O5S/c1-26-10-9-22-16-6-5-15(11-13(16)3-8-19(22)23)21-28(24,25)18-12-14(20)4-7-17(18)27-2/h4-7,11-12,21H,3,8-10H2,1-2H3
InChIKeyKUNPSANMLJJUGH-UHFFFAOYSA-N
XLogP3.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide with MolForge

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Related Compounds

2,5-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16828141
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856
2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927648
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 71842864
2-methoxy-5-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16826959
1-(3,5-difluorophenyl)-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
CID 71842852
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-2-methylbenzenesulfonamide
CID 16826952

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (CID 30532854) is 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is COCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The InChIKey is KUNPSANMLJJUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-10-9-22-16-6-5-15(11-13(16)3-8-19(22)23)21-28(24,25)18-12-14(20)4-7-17(18)27-2/h4-7,11-12,21H,3,8-10H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 30532854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).