N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide

C18H16N2O3S — CID 43040079

IUPACN-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc2ncccc12
InChIInChI=1S/C18H16N2O3S/c1-12-8-9-13(24(2,22)23)11-17(12)20-18(21)15-5-3-7-16-14(15)6-4-10-19-16/h3-11H,1-2H3,(H,20,21)
InChIKeyWFUPJOQQHXUYHV-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.20
Rot. Bonds3

About N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide

N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide (PubChem CID 43040079) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
PubChem CID43040079
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc2ncccc12
InChIInChI=1S/C18H16N2O3S/c1-12-8-9-13(24(2,22)23)11-17(12)20-18(21)15-5-3-7-16-14(15)6-4-10-19-16/h3-11H,1-2H3,(H,20,21)
InChIKeyWFUPJOQQHXUYHV-UHFFFAOYSA-N
XLogP3.20
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide (CID 43040079) is N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide?
The InChIKey is WFUPJOQQHXUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-8-9-13(24(2,22)23)11-17(12)20-18(21)15-5-3-7-16-14(15)6-4-10-19-16/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide?
N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide is sourced from PubChem (CID 43040079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).