1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide

C19H19ClN2O3S — CID 110325870

IUPAC1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
SMILESCc1ccc2cc(CCNS(=O)(=O)Cc3ccccc3Cl)c(=O)[nH]c2c1
InChIInChI=1S/C19H19ClN2O3S/c1-13-6-7-14-11-15(19(23)22-18(14)10-13)8-9-21-26(24,25)12-16-4-2-3-5-17(16)20/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23)
InChIKeyRXZWYLDZSKUCLQ-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide (PubChem CID 110325870) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
PubChem CID110325870
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
SMILESCc1ccc2cc(CCNS(=O)(=O)Cc3ccccc3Cl)c(=O)[nH]c2c1
InChIInChI=1S/C19H19ClN2O3S/c1-13-6-7-14-11-15(19(23)22-18(14)10-13)8-9-21-26(24,25)12-16-4-2-3-5-17(16)20/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23)
InChIKeyRXZWYLDZSKUCLQ-UHFFFAOYSA-N
XLogP3.15
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide (CID 110325870) is 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide is Cc1ccc2cc(CCNS(=O)(=O)Cc3ccccc3Cl)c(=O)[nH]c2c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide?
The InChIKey is RXZWYLDZSKUCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-13-6-7-14-11-15(19(23)22-18(14)10-13)8-9-21-26(24,25)12-16-4-2-3-5-17(16)20/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23).
What are the key properties of 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110325870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).