5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C20H23FN2O4S — CID 7517699

IUPAC5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C20H23FN2O4S/c1-13(2)20(24)23-10-4-5-14-6-8-16(12-17(14)23)22-28(25,26)19-11-15(21)7-9-18(19)27-3/h6-9,11-13,22H,4-5,10H2,1-3H3
InChIKeyIMPYHDYCQDALCQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.57
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 7517699) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID7517699
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2
InChIInChI=1S/C20H23FN2O4S/c1-13(2)20(24)23-10-4-5-14-6-8-16(12-17(14)23)22-28(25,26)19-11-15(21)7-9-18(19)27-3/h6-9,11-13,22H,4-5,10H2,1-3H3
InChIKeyIMPYHDYCQDALCQ-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide with MolForge

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Related Compounds

Pfi-1
CID 71271629
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-4-ethoxybenzene-1-sulfonamide
CID 7517554
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
CID 7586249
1-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16031528
N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)-2-methoxybenzene-1-sulfonamide
CID 71271926
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-4-methoxybenzenesulfonamide
CID 89659420
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-3-methoxybenzenesulfonamide
CID 89659441
2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5253110
1-acetyl-N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7401518
N-(4-Methoxyphenyl)-2-(N-methyl1-acetyl-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
CID 16034779
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 16321846
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide
CID 7586257

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 7517699) is 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2.
What is the InChIKey of 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is IMPYHDYCQDALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-13(2)20(24)23-10-4-5-14-6-8-16(12-17(14)23)22-28(25,26)19-11-15(21)7-9-18(19)27-3/h6-9,11-13,22H,4-5,10H2,1-3H3.
What are the key properties of 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 406.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 7517699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).