5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide

C24H23FN2O3S — CID 4279791

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2F)c1
InChIInChI=1S/C24H23FN2O3S/c1-16-9-10-17(2)22(14-16)26-24(28)20-15-19(11-12-21(20)25)31(29,30)27-13-5-7-18-6-3-4-8-23(18)27/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,26,28)
InChIKeyMATQHWZQUACECA-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.84
Rot. Bonds4

About 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide

5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide (PubChem CID 4279791) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide
PubChem CID4279791
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2F)c1
InChIInChI=1S/C24H23FN2O3S/c1-16-9-10-17(2)22(14-16)26-24(28)20-15-19(11-12-21(20)25)31(29,30)27-13-5-7-18-6-3-4-8-23(18)27/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,26,28)
InChIKeyMATQHWZQUACECA-UHFFFAOYSA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide 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 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide (CID 4279791) is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide is Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2F)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is MATQHWZQUACECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-16-9-10-17(2)22(14-16)26-24(28)20-15-19(11-12-21(20)25)31(29,30)27-13-5-7-18-6-3-4-8-23(18)27/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,26,28).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide?
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 438.52 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 4279791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).