4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide

C18H18N2O3S — CID 110734118

IUPAC4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3ccccc3n2)cc1C
InChIInChI=1S/C18H18N2O3S/c1-13-11-16(9-10-18(13)23-2)24(21,22)19-12-15-8-7-14-5-3-4-6-17(14)20-15/h3-11,19H,12H2,1-2H3
InChIKeyQINOTUHXBNFXLN-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.03
Rot. Bonds5

About 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide

4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide (PubChem CID 110734118) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
PubChem CID110734118
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3ccccc3n2)cc1C
InChIInChI=1S/C18H18N2O3S/c1-13-11-16(9-10-18(13)23-2)24(21,22)19-12-15-8-7-14-5-3-4-6-17(14)20-15/h3-11,19H,12H2,1-2H3
InChIKeyQINOTUHXBNFXLN-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

4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 46969297
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 66485528
4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869633
4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide
CID 131931964
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967732
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide (CID 110734118) is 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc3ccccc3n2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide?
The InChIKey is QINOTUHXBNFXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-11-16(9-10-18(13)23-2)24(21,22)19-12-15-8-7-14-5-3-4-6-17(14)20-15/h3-11,19H,12H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(quinolin-2-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 4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110734118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).