N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide

C14H18N2O3S — CID 110612616

IUPACN-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide
SMILESO=C1CCN(S(=O)(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C14H18N2O3S/c17-14-9-10-16(13-8-4-3-7-12(13)14)20(18,19)15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2
InChIKeyFYZMZBRLNUBETQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.86
Rot. Bonds3

About N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide

N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide (PubChem CID 110612616) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide
PubChem CID110612616
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide
SMILESO=C1CCN(S(=O)(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C14H18N2O3S/c17-14-9-10-16(13-8-4-3-7-12(13)14)20(18,19)15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2
InChIKeyFYZMZBRLNUBETQ-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide?
The IUPAC name of N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide (CID 110612616) is N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide is O=C1CCN(S(=O)(=O)NC2CCCC2)c2ccccc21.
What is the InChIKey of N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide?
The InChIKey is FYZMZBRLNUBETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14-9-10-16(13-8-4-3-7-12(13)14)20(18,19)15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2.
What are the key properties of N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide?
N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide is sourced from PubChem (CID 110612616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).