N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide

C16H14N2O3S2 — CID 154838617

IUPACN-(3-methylsulfinylphenyl)quinoline-6-sulfonamide
SMILESCS(=O)c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H14N2O3S2/c1-22(19)14-6-2-5-13(11-14)18-23(20,21)15-7-8-16-12(10-15)4-3-9-17-16/h2-11,18H,1H3
InChIKeyACFHYLANSJAZEF-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.77
Rot. Bonds4

About N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide

N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide (PubChem CID 154838617) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfinylphenyl)quinoline-6-sulfonamide
PubChem CID154838617
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC NameN-(3-methylsulfinylphenyl)quinoline-6-sulfonamide
SMILESCS(=O)c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H14N2O3S2/c1-22(19)14-6-2-5-13(11-14)18-23(20,21)15-7-8-16-12(10-15)4-3-9-17-16/h2-11,18H,1H3
InChIKeyACFHYLANSJAZEF-UHFFFAOYSA-N
XLogP2.77
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

potassium;methane;3-[(3-methylsulfinylphenyl)sulfonylamino]benzenesulfonate
CID 159894776
6-oxo-N-quinolin-6-yl-1H-pyridine-3-sulfonamide
CID 62636555
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
N-quinolin-6-ylethanesulfonamide
CID 64584546
N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide
CID 154838624
ethane;6-methylsulfonylquinoline
CID 156875641
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
quinoline-6-sulfonamide
CID 23273907
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide
CID 75458673
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086
sodium;hydride;quinoline-6-sulfonic acid
CID 173122364

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide?
The IUPAC name of N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide (CID 154838617) is N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide?
The canonical SMILES for N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide is CS(=O)c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide?
The InChIKey is ACFHYLANSJAZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-22(19)14-6-2-5-13(11-14)18-23(20,21)15-7-8-16-12(10-15)4-3-9-17-16/h2-11,18H,1H3.
What are the key properties of N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide?
N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide has a molecular weight of 346.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide is sourced from PubChem (CID 154838617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).