N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide

C18H18N2O3S — CID 729100

IUPACN-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-12-6-4-8-15(13(12)2)20-24(21,22)17-10-9-16(23-3)18-14(17)7-5-11-19-18/h4-11,20H,1-3H3
InChIKeyJXMJYFMMNAKAHD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.66
Rot. Bonds4

About N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide

N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide (PubChem CID 729100) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide
PubChem CID729100
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-12-6-4-8-15(13(12)2)20-24(21,22)17-10-9-16(23-3)18-14(17)7-5-11-19-18/h4-11,20H,1-3H3
InChIKeyJXMJYFMMNAKAHD-UHFFFAOYSA-N
XLogP3.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Actinoquinol
CID 23674
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173771
5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173792
US9663498, Example 23
CID 118181441
3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(piperazin-1-yl) phenyl)sulfonyl)-1H-indole
CID 118181454
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189
N-[5-(5-fluoro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451924

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide (CID 729100) is N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c2cccnc12.
What is the InChIKey of N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide?
The InChIKey is JXMJYFMMNAKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-6-4-8-15(13(12)2)20-24(21,22)17-10-9-16(23-3)18-14(17)7-5-11-19-18/h4-11,20H,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide?
N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-8-methoxyquinoline-5-sulfonamide is sourced from PubChem (CID 729100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).