3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C18H20N2O3S — CID 110729158

IUPAC3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C)CCC3)c1
InChIInChI=1S/C18H20N2O3S/c1-13(21)15-5-3-7-17(11-15)24(22,23)19-16-9-8-14-6-4-10-20(2)18(14)12-16/h3,5,7-9,11-12,19H,4,6,10H2,1-2H3
InChIKeyLRVJQYCLYNGGNY-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.07
Rot. Bonds4

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

3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 110729158) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID110729158
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C)CCC3)c1
InChIInChI=1S/C18H20N2O3S/c1-13(21)15-5-3-7-17(11-15)24(22,23)19-16-9-8-14-6-4-10-20(2)18(14)12-16/h3,5,7-9,11-12,19H,4,6,10H2,1-2H3
InChIKeyLRVJQYCLYNGGNY-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide
CID 86870294
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 110729158) is 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C)CCC3)c1.
What is the InChIKey of 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is LRVJQYCLYNGGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(21)15-5-3-7-17(11-15)24(22,23)19-16-9-8-14-6-4-10-20(2)18(14)12-16/h3,5,7-9,11-12,19H,4,6,10H2,1-2H3.
What are the key properties of 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 110729158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).