1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide

C21H27ClN2O2S — CID 16837765

IUPAC1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)Cc3cccc(Cl)c3)ccc21
InChIInChI=1S/C21H27ClN2O2S/c1-2-12-24-13-4-6-19-14-17(8-9-21(19)24)10-11-23-27(25,26)16-18-5-3-7-20(22)15-18/h3,5,7-9,14-15,23H,2,4,6,10-13,16H2,1H3
InChIKeyCJYYYNIUEPNQPR-UHFFFAOYSA-N
MW406.98 g/mol
LogP4.16
Rot. Bonds8

About 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide

1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide (PubChem CID 16837765) has the molecular formula C21H27ClN2O2S and a molecular weight of 406.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide
PubChem CID16837765
Molecular FormulaC21H27ClN2O2S
Molecular Weight406.98 g/mol
Exact Mass406.15
IUPAC Name1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)Cc3cccc(Cl)c3)ccc21
InChIInChI=1S/C21H27ClN2O2S/c1-2-12-24-13-4-6-19-14-17(8-9-21(19)24)10-11-23-27(25,26)16-18-5-3-7-20(22)15-18/h3,5,7-9,14-15,23H,2,4,6,10-13,16H2,1H3
InChIKeyCJYYYNIUEPNQPR-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide (CID 16837765) is 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)Cc3cccc(Cl)c3)ccc21.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
The InChIKey is CJYYYNIUEPNQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2S/c1-2-12-24-13-4-6-19-14-17(8-9-21(19)24)10-11-23-27(25,26)16-18-5-3-7-20(22)15-18/h3,5,7-9,14-15,23H,2,4,6,10-13,16H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide has a molecular weight of 406.98 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 16837765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).