N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide

C18H19FN2O4S — CID 7517552

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1F
InChIInChI=1S/C18H19FN2O4S/c1-12(22)21-9-3-4-13-5-6-14(10-17(13)21)20-26(23,24)15-7-8-18(25-2)16(19)11-15/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyIMSDVGJJBYYUED-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.93
Rot. Bonds4

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 7517552) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID7517552
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1F
InChIInChI=1S/C18H19FN2O4S/c1-12(22)21-9-3-4-13-5-6-14(10-17(13)21)20-26(23,24)15-7-8-18(25-2)16(19)11-15/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyIMSDVGJJBYYUED-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
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
4-Methoxy-N-{3-[4-(p-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42635028
4-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-sulfonamide
CID 71271805
3-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
CID 71272103
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-4-(trifluoromethoxy)benzenesulfonamide
CID 89659406
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
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-4-(difluoromethoxy)benzenesulfonamide
CID 89701026
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1318352

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide (CID 7517552) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1F.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is IMSDVGJJBYYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-12(22)21-9-3-4-13-5-6-14(10-17(13)21)20-26(23,24)15-7-8-18(25-2)16(19)11-15/h5-8,10-11,20H,3-4,9H2,1-2H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7517552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).