2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride

C11H12ClNO3S — CID 82488863

IUPAC2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
SMILESO=C1CCc2cc(CCS(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C11H12ClNO3S/c12-17(15,16)6-5-8-1-3-10-9(7-8)2-4-11(14)13-10/h1,3,7H,2,4-6H2,(H,13,14)
InChIKeyGKRIOIUVJPUIQP-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride

2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride (PubChem CID 82488863) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
PubChem CID82488863
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
SMILESO=C1CCc2cc(CCS(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C11H12ClNO3S/c12-17(15,16)6-5-8-1-3-10-9(7-8)2-4-11(14)13-10/h1,3,7H,2,4-6H2,(H,13,14)
InChIKeyGKRIOIUVJPUIQP-UHFFFAOYSA-N
XLogP1.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
CID 110788676
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
6-[2-[1-aminopropan-2-yl(methyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 117040127
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
(E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pent-2-enoic acid
CID 116865917
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide
CID 110788681

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride (CID 82488863) is 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride is O=C1CCc2cc(CCS(=O)(=O)Cl)ccc2N1.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride?
The InChIKey is GKRIOIUVJPUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-17(15,16)6-5-8-1-3-10-9(7-8)2-4-11(14)13-10/h1,3,7H,2,4-6H2,(H,13,14).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride?
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride is sourced from PubChem (CID 82488863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).