N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide

C17H16N2O3S — CID 31046324

IUPACN-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-10-13-4-3-5-16(17(13)18-11-12)23(20,21)19-14-6-8-15(22-2)9-7-14/h3-11,19H,1-2H3
InChIKeySDSSQILRSABGGO-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.35
Rot. Bonds4

About N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide

N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 31046324) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
PubChem CID31046324
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-10-13-4-3-5-16(17(13)18-11-12)23(20,21)19-14-6-8-15(22-2)9-7-14/h3-11,19H,1-2H3
InChIKeySDSSQILRSABGGO-UHFFFAOYSA-N
XLogP3.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
N-(2-methoxy-3-pyridinyl)-3-methylquinoline-8-sulfonamide
CID 47038312
N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 60533343
N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
CID 31046434
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide (CID 31046324) is N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide is COc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is SDSSQILRSABGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-10-13-4-3-5-16(17(13)18-11-12)23(20,21)19-14-6-8-15(22-2)9-7-14/h3-11,19H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 31046324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).