quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

C19H17FN2O4S — CID 40679267

IUPACquinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccc2ccccc2n1
InChIInChI=1S/C19H17FN2O4S/c1-13(22-27(24,25)18-9-5-3-7-16(18)20)19(23)26-12-15-11-10-14-6-2-4-8-17(14)21-15/h2-11,13,22H,12H2,1H3/t13-/m0/s1
InChIKeyDMIAZRIBPSEBFB-ZDUSSCGKSA-N
MW388.42 g/mol
LogP2.78
Rot. Bonds6

About quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 40679267) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namequinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID40679267
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Namequinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccc2ccccc2n1
InChIInChI=1S/C19H17FN2O4S/c1-13(22-27(24,25)18-9-5-3-7-16(18)20)19(23)26-12-15-11-10-14-6-2-4-8-17(14)21-15/h2-11,13,22H,12H2,1H3/t13-/m0/s1
InChIKeyDMIAZRIBPSEBFB-ZDUSSCGKSA-N
XLogP2.78
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate 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 quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 40679267) is quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccc2ccccc2n1.
What is the InChIKey of quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is DMIAZRIBPSEBFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-13(22-27(24,25)18-9-5-3-7-16(18)20)19(23)26-12-15-11-10-14-6-2-4-8-17(14)21-15/h2-11,13,22H,12H2,1H3/t13-/m0/s1.
What are the key properties of quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 388.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 40679267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).