2-methylsulfonyl-N-quinolin-5-ylbenzamide

C17H14N2O3S — CID 2474595

IUPAC2-methylsulfonyl-N-quinolin-5-ylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H14N2O3S/c1-23(21,22)16-10-3-2-6-13(16)17(20)19-15-9-4-8-14-12(15)7-5-11-18-14/h2-11H,1H3,(H,19,20)
InChIKeyDNSDFMYAXRBBMB-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.89
Rot. Bonds3

About 2-methylsulfonyl-N-quinolin-5-ylbenzamide

2-methylsulfonyl-N-quinolin-5-ylbenzamide (PubChem CID 2474595) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-methylsulfonyl-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-quinolin-5-ylbenzamide
PubChem CID2474595
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-methylsulfonyl-N-quinolin-5-ylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H14N2O3S/c1-23(21,22)16-10-3-2-6-13(16)17(20)19-15-9-4-8-14-12(15)7-5-11-18-14/h2-11H,1H3,(H,19,20)
InChIKeyDNSDFMYAXRBBMB-UHFFFAOYSA-N
XLogP2.89
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonyl-N-quinolin-5-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-quinolin-5-ylbenzamide?
The IUPAC name of 2-methylsulfonyl-N-quinolin-5-ylbenzamide (CID 2474595) is 2-methylsulfonyl-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 2-methylsulfonyl-N-quinolin-5-ylbenzamide?
The canonical SMILES for 2-methylsulfonyl-N-quinolin-5-ylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-methylsulfonyl-N-quinolin-5-ylbenzamide?
The InChIKey is DNSDFMYAXRBBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-23(21,22)16-10-3-2-6-13(16)17(20)19-15-9-4-8-14-12(15)7-5-11-18-14/h2-11H,1H3,(H,19,20).
What are the key properties of 2-methylsulfonyl-N-quinolin-5-ylbenzamide?
2-methylsulfonyl-N-quinolin-5-ylbenzamide has a molecular weight of 326.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 2474595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).