2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide

C11H13ClN2O3S — CID 107651248

IUPAC2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)CCCl)ccc2N1
InChIInChI=1S/C11H13ClN2O3S/c12-5-6-18(16,17)14-9-2-3-10-8(7-9)1-4-11(15)13-10/h2-3,7,14H,1,4-6H2,(H,13,15)
InChIKeyXDESBXMPCOBMIX-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.55
Rot. Bonds4

About 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide

2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide (PubChem CID 107651248) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide
PubChem CID107651248
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)CCCl)ccc2N1
InChIInChI=1S/C11H13ClN2O3S/c12-5-6-18(16,17)14-9-2-3-10-8(7-9)1-4-11(15)13-10/h2-3,7,14H,1,4-6H2,(H,13,15)
InChIKeyXDESBXMPCOBMIX-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
CID 40889588
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 64629940
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 114841931
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide (CID 107651248) is 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide is O=C1CCc2cc(NS(=O)(=O)CCCl)ccc2N1.
What is the InChIKey of 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide?
The InChIKey is XDESBXMPCOBMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c12-5-6-18(16,17)14-9-2-3-10-8(7-9)1-4-11(15)13-10/h2-3,7,14H,1,4-6H2,(H,13,15).
What are the key properties of 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide?
2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide has a molecular weight of 288.76 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide is sourced from PubChem (CID 107651248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).