1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide

C20H23ClN2O3S — CID 16927605

IUPAC1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
SMILESCC(C)CN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H23ClN2O3S/c1-14(2)12-23-19-9-8-18(11-16(19)5-10-20(23)24)22-27(25,26)13-15-3-6-17(21)7-4-15/h3-4,6-9,11,14,22H,5,10,12-13H2,1-2H3
InChIKeyUSCSNWQSGWKGGO-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.22
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide (PubChem CID 16927605) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
PubChem CID16927605
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
SMILESCC(C)CN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H23ClN2O3S/c1-14(2)12-23-19-9-8-18(11-16(19)5-10-20(23)24)22-27(25,26)13-15-3-6-17(21)7-4-15/h3-4,6-9,11,14,22H,5,10,12-13H2,1-2H3
InChIKeyUSCSNWQSGWKGGO-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.22
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-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide (CID 16927605) is 1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide is CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide?
The InChIKey is USCSNWQSGWKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14(2)12-23-19-9-8-18(11-16(19)5-10-20(23)24)22-27(25,26)13-15-3-6-17(21)7-4-15/h3-4,6-9,11,14,22H,5,10,12-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 4.22, 6 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-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 16927605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).