1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

C17H17ClN2O3S — CID 40889574

IUPAC1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H17ClN2O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)19-24(22,23)11-12-2-5-14(18)6-3-12/h2-3,5-8,10,19H,4,9,11H2,1H3
InChIKeyIUBLVVLJNXWSIX-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (PubChem CID 40889574) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
PubChem CID40889574
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H17ClN2O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)19-24(22,23)11-12-2-5-14(18)6-3-12/h2-3,5-8,10,19H,4,9,11H2,1H3
InChIKeyIUBLVVLJNXWSIX-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (CID 40889574) is 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is CN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The InChIKey is IUBLVVLJNXWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)19-24(22,23)11-12-2-5-14(18)6-3-12/h2-3,5-8,10,19H,4,9,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 40889574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).