2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide

C13H15ClN2O2S2 — CID 115985763

IUPAC2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O2S2/c1-16(7-8-19-2)20(17,18)11-4-5-12-10(9-11)3-6-13(14)15-12/h3-6,9H,7-8H2,1-2H3
InChIKeyNHMKCZHSYXPEQP-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.87
Rot. Bonds5

About 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide

2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide (PubChem CID 115985763) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
PubChem CID115985763
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O2S2/c1-16(7-8-19-2)20(17,18)11-4-5-12-10(9-11)3-6-13(14)15-12/h3-6,9H,7-8H2,1-2H3
InChIKeyNHMKCZHSYXPEQP-UHFFFAOYSA-N
XLogP2.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115987134
2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide
CID 62861512
4-chloro-3-(ethylaminomethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988345
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656600
3-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667066
N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 114263597
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
CID 43456823
3-(chloromethyl)-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667033
2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide
CID 62152213
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667293
3-amino-N-methyl-N-(2-methylsulfanylethyl)-4-nitrobenzenesulfonamide
CID 112664013
2-hydrazinyl-N-(2-hydroxyethyl)-N-methylquinoline-6-sulfonamide
CID 60961716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide (CID 115985763) is 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide is CSCCN(C)S(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
The InChIKey is NHMKCZHSYXPEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-16(7-8-19-2)20(17,18)11-4-5-12-10(9-11)3-6-13(14)15-12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 115985763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).