N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide

C19H20N2O4S — CID 134034376

IUPACN-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)c3ncccc23)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-13-6-9-18(15-5-4-10-20-19(13)15)26(22,23)21-12-14-7-8-16(24-2)17(11-14)25-3/h4-11,21H,12H2,1-3H3
InChIKeyHGLMKRKDGGPOJB-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.04
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide (PubChem CID 134034376) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
PubChem CID134034376
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)c3ncccc23)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-13-6-9-18(15-5-4-10-20-19(13)15)26(22,23)21-12-14-7-8-16(24-2)17(11-14)25-3/h4-11,21H,12H2,1-3H3
InChIKeyHGLMKRKDGGPOJB-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide
CID 55913382
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
N-heptyl-8-methoxyquinoline-5-sulfonamide
CID 594128
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
CID 624168
3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774314
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide (CID 134034376) is N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(C)c3ncccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide?
The InChIKey is HGLMKRKDGGPOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-6-9-18(15-5-4-10-20-19(13)15)26(22,23)21-12-14-7-8-16(24-2)17(11-14)25-3/h4-11,21H,12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 134034376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).