2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide

C15H17ClN2O2S — CID 43456823

IUPAC2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H17ClN2O2S/c1-4-18(10-11(2)3)21(19,20)13-6-7-14-12(9-13)5-8-15(16)17-14/h5-9H,2,4,10H2,1,3H3
InChIKeyPUADCZYEXGZBFA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.47
Rot. Bonds5

About 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide

2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide (PubChem CID 43456823) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
PubChem CID43456823
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H17ClN2O2S/c1-4-18(10-11(2)3)21(19,20)13-6-7-14-12(9-13)5-8-15(16)17-14/h5-9H,2,4,10H2,1,3H3
InChIKeyPUADCZYEXGZBFA-UHFFFAOYSA-N
XLogP3.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoic acid
CID 104654355
2-chloro-N,N-diethylquinoxaline-6-sulfonamide
CID 50743348
3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112335
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
CID 39453360
2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115985763
3-amino-5-chloro-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112529
2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide
CID 62861512
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)-5-nitrobenzenesulfonamide
CID 43389502
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide
CID 59648218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide (CID 43456823) is 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide?
The InChIKey is PUADCZYEXGZBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-4-18(10-11(2)3)21(19,20)13-6-7-14-12(9-13)5-8-15(16)17-14/h5-9H,2,4,10H2,1,3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide?
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide is sourced from PubChem (CID 43456823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).