ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate

C18H19F2NO4S — CID 4581290

IUPACethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NO4S/c1-2-25-18(22)11-12-21(13-14-3-5-15(19)6-4-14)26(23,24)17-9-7-16(20)8-10-17/h3-10H,2,11-13H2,1H3
InChIKeyCTZDEFVHVIPUEB-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.11
Rot. Bonds8

About ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate

ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 4581290) has the molecular formula C18H19F2NO4S and a molecular weight of 383.42 g/mol. Its IUPAC name is ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate
PubChem CID4581290
Molecular FormulaC18H19F2NO4S
Molecular Weight383.42 g/mol
Exact Mass383.10
IUPAC Nameethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NO4S/c1-2-25-18(22)11-12-21(13-14-3-5-15(19)6-4-14)26(23,24)17-9-7-16(20)8-10-17/h3-10H,2,11-13H2,1H3
InChIKeyCTZDEFVHVIPUEB-UHFFFAOYSA-N
XLogP3.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate (CID 4581290) is ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate is CCOC(=O)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is CTZDEFVHVIPUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4S/c1-2-25-18(22)11-12-21(13-14-3-5-15(19)6-4-14)26(23,24)17-9-7-16(20)8-10-17/h3-10H,2,11-13H2,1H3.
What are the key properties of ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate?
ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 383.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-fluorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 4581290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).