N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide

C18H16N2O3S — CID 164511155

IUPACN-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
SMILESCc1ccc2cccnc2c1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-5-6-13-4-3-11-19-17(13)16(12)20-18(21)14-7-9-15(10-8-14)24(2,22)23/h3-11H,1-2H3,(H,20,21)
InChIKeyAIRHDSLAZOQRFC-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.20
Rot. Bonds3

About N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide

N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide (PubChem CID 164511155) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
PubChem CID164511155
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
SMILESCc1ccc2cccnc2c1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-5-6-13-4-3-11-19-17(13)16(12)20-18(21)14-7-9-15(10-8-14)24(2,22)23/h3-11H,1-2H3,(H,20,21)
InChIKeyAIRHDSLAZOQRFC-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-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide (CID 164511155) is N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide is Cc1ccc2cccnc2c1NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide?
The InChIKey is AIRHDSLAZOQRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-5-6-13-4-3-11-19-17(13)16(12)20-18(21)14-7-9-15(10-8-14)24(2,22)23/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide?
N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide 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-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 164511155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).