N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide

C15H22N2O3S — CID 16834785

IUPACN-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
SMILESCCC(=O)N1CCCc2cc(NS(=O)(=O)C(C)C)ccc21
InChIInChI=1S/C15H22N2O3S/c1-4-15(18)17-9-5-6-12-10-13(7-8-14(12)17)16-21(19,20)11(2)3/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeySALUKVOZACDRME-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.53
Rot. Bonds4

About N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide

N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide (PubChem CID 16834785) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
PubChem CID16834785
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
SMILESCCC(=O)N1CCCc2cc(NS(=O)(=O)C(C)C)ccc21
InChIInChI=1S/C15H22N2O3S/c1-4-15(18)17-9-5-6-12-10-13(7-8-14(12)17)16-21(19,20)11(2)3/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeySALUKVOZACDRME-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 7635711
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913
1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955721
4-[3-oxo-3-[6-(propan-2-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide;hydrochloride
CID 18367148
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448407
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 7635663
4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773

Frequently Asked Questions

What is the IUPAC name of N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide (CID 16834785) is N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide is CCC(=O)N1CCCc2cc(NS(=O)(=O)C(C)C)ccc21.
What is the InChIKey of N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide?
The InChIKey is SALUKVOZACDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-15(18)17-9-5-6-12-10-13(7-8-14(12)17)16-21(19,20)11(2)3/h7-8,10-11,16H,4-6,9H2,1-3H3.
What are the key properties of N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide?
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide is sourced from PubChem (CID 16834785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).