N-(2-methylpropyl)quinoline-8-sulfonamide

C13H16N2O2S — CID 19681190

IUPACN-(2-methylpropyl)quinoline-8-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-10(2)9-15-18(16,17)12-7-3-5-11-6-4-8-14-13(11)12/h3-8,10,15H,9H2,1-2H3
InChIKeyDMMRIJOACRXXHS-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.17
Rot. Bonds4

About N-(2-methylpropyl)quinoline-8-sulfonamide

N-(2-methylpropyl)quinoline-8-sulfonamide (PubChem CID 19681190) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-methylpropyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)quinoline-8-sulfonamide
PubChem CID19681190
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(2-methylpropyl)quinoline-8-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-10(2)9-15-18(16,17)12-7-3-5-11-6-4-8-14-13(11)12/h3-8,10,15H,9H2,1-2H3
InChIKeyDMMRIJOACRXXHS-UHFFFAOYSA-N
XLogP2.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butylquinoline-8-sulfonamide
CID 2068304
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide
CID 122150658
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide
CID 90625175
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-methylpropyl)quinoline-8-sulfonamide (CID 19681190) is N-(2-methylpropyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)quinoline-8-sulfonamide is CC(C)CNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-methylpropyl)quinoline-8-sulfonamide?
The InChIKey is DMMRIJOACRXXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10(2)9-15-18(16,17)12-7-3-5-11-6-4-8-14-13(11)12/h3-8,10,15H,9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)quinoline-8-sulfonamide?
N-(2-methylpropyl)quinoline-8-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)quinoline-8-sulfonamide is sourced from PubChem (CID 19681190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).