methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate

C17H19FN2O4S — CID 86804274

IUPACmethyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-12-3-5-13(18)6-4-12)19-14-7-9-15(10-8-14)20-25(2,22)23/h3-10,16,19-20H,11H2,1-2H3
InChIKeyGPNVLHHHWBGIJF-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.39
Rot. Bonds7

About methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate

methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate (PubChem CID 86804274) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate
PubChem CID86804274
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Namemethyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-12-3-5-13(18)6-4-12)19-14-7-9-15(10-8-14)20-25(2,22)23/h3-10,16,19-20H,11H2,1-2H3
InChIKeyGPNVLHHHWBGIJF-UHFFFAOYSA-N
XLogP2.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate (CID 86804274) is methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate is COC(=O)C(Cc1ccc(F)cc1)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate?
The InChIKey is GPNVLHHHWBGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-12-3-5-13(18)6-4-12)19-14-7-9-15(10-8-14)20-25(2,22)23/h3-10,16,19-20H,11H2,1-2H3.
What are the key properties of methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate?
methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate has a molecular weight of 366.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate is sourced from PubChem (CID 86804274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).