2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide

C18H18N2O3S — CID 110734272

IUPAC2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-13-7-8-17(23-2)18(11-13)24(21,22)20-12-14-9-10-19-16-6-4-3-5-15(14)16/h3-11,20H,12H2,1-2H3
InChIKeyWDEWIYGRYOJUAO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.03
Rot. Bonds5

About 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide (PubChem CID 110734272) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
PubChem CID110734272
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-13-7-8-17(23-2)18(11-13)24(21,22)20-12-14-9-10-19-16-6-4-3-5-15(14)16/h3-11,20H,12H2,1-2H3
InChIKeyWDEWIYGRYOJUAO-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639542
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042045
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylbenzenesulfonamide
CID 110322963
3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 24891714
N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
CID 110734274
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110325529
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide (CID 110734272) is 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCc1ccnc2ccccc12.
What is the InChIKey of 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The InChIKey is WDEWIYGRYOJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-7-8-17(23-2)18(11-13)24(21,22)20-12-14-9-10-19-16-6-4-3-5-15(14)16/h3-11,20H,12H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110734272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).