(2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate

C16H15ClFNO4S — CID 2404170

IUPAC(2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)OCc1ccccc1Cl
InChIInChI=1S/C16H15ClFNO4S/c17-13-6-2-1-5-12(13)11-23-16(20)9-10-19-24(21,22)15-8-4-3-7-14(15)18/h1-8,19H,9-11H2
InChIKeyBBTUXPMXPQBAKL-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.89
Rot. Bonds7

About (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate

(2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 2404170) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID2404170
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Name(2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)OCc1ccccc1Cl
InChIInChI=1S/C16H15ClFNO4S/c17-13-6-2-1-5-12(13)11-23-16(20)9-10-19-24(21,22)15-8-4-3-7-14(15)18/h1-8,19H,9-11H2
InChIKeyBBTUXPMXPQBAKL-UHFFFAOYSA-N
XLogP2.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate (CID 2404170) is (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1ccccc1F)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is BBTUXPMXPQBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c17-13-6-2-1-5-12(13)11-23-16(20)9-10-19-24(21,22)15-8-4-3-7-14(15)18/h1-8,19H,9-11H2.
What are the key properties of (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate?
(2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 371.82 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 3-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2404170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).