4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide

C18H18N2O3S — CID 110715588

IUPAC4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc3cccnc23)cc1C
InChIInChI=1S/C18H18N2O3S/c1-12-9-14-5-4-8-19-18(14)16(10-12)20-24(21,22)15-6-7-17(23-3)13(2)11-15/h4-11,20H,1-3H3
InChIKeyVLWWGRVSVKUWBG-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.66
Rot. Bonds4

About 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide

4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide (PubChem CID 110715588) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
PubChem CID110715588
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc3cccnc23)cc1C
InChIInChI=1S/C18H18N2O3S/c1-12-9-14-5-4-8-19-18(14)16(10-12)20-24(21,22)15-6-7-17(23-3)13(2)11-15/h4-11,20H,1-3H3
InChIKeyVLWWGRVSVKUWBG-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

N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 16604844
N-(6-fluoroquinolin-8-yl)-3,5-dimethoxybenzenesulfonamide
CID 164876932
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110867586
2,6-dimethoxy-N-(6-methylquinolin-8-yl)benzamide
CID 110715570
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 118873481
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide (CID 110715588) is 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)cc3cccnc23)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide?
The InChIKey is VLWWGRVSVKUWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-9-14-5-4-8-19-18(14)16(10-12)20-24(21,22)15-6-7-17(23-3)13(2)11-15/h4-11,20H,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide?
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide 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 4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 110715588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).