1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C21H24N2O3S — CID 46361613

IUPAC1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H24N2O3S/c1-15(24)23-13-5-8-17-14-18(11-12-21(17)23)27(25,26)22-20-10-4-7-16-6-2-3-9-19(16)20/h2-3,6,9,11-12,14,20,22H,4-5,7-8,10,13H2,1H3
InChIKeyBLLKSJXPQSDAIW-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.34
Rot. Bonds3

About 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 46361613) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID46361613
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H24N2O3S/c1-15(24)23-13-5-8-17-14-18(11-12-21(17)23)27(25,26)22-20-10-4-7-16-6-2-3-9-19(16)20/h2-3,6,9,11-12,14,20,22H,4-5,7-8,10,13H2,1H3
InChIKeyBLLKSJXPQSDAIW-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 95065907
N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 53005223
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721948
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
1-acetyl-N-[(3S)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830688
1-acetyl-N-[(3R)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830687
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 46361613) is 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21.
What is the InChIKey of 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is BLLKSJXPQSDAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15(24)23-13-5-8-17-14-18(11-12-21(17)23)27(25,26)22-20-10-4-7-16-6-2-3-9-19(16)20/h2-3,6,9,11-12,14,20,22H,4-5,7-8,10,13H2,1H3.
What are the key properties of 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 46361613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).