1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C16H22N2O3S — CID 3388851

IUPAC1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H22N2O3S/c1-12(19)18-10-4-5-13-11-15(8-9-16(13)18)22(20,21)17-14-6-2-3-7-14/h8-9,11,14,17H,2-7,10H2,1H3
InChIKeyWAWRPFSZCGHROP-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.21
Rot. Bonds3

About 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 3388851) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID3388851
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H22N2O3S/c1-12(19)18-10-4-5-13-11-15(8-9-16(13)18)22(20,21)17-14-6-2-3-7-14/h8-9,11,14,17H,2-7,10H2,1H3
InChIKeyWAWRPFSZCGHROP-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-acetyl-2,3-dihydroindole-5-sulfonamide
CID 17487399
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide
CID 110868865
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 3388851) is 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is WAWRPFSZCGHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12(19)18-10-4-5-13-11-15(8-9-16(13)18)22(20,21)17-14-6-2-3-7-14/h8-9,11,14,17H,2-7,10H2,1H3.
What are the key properties of 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 3388851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).