3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid

C19H17NO4S — CID 3632641

IUPAC3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-19(22)13-18(15-7-2-1-3-8-15)20-25(23,24)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18,20H,13H2,(H,21,22)
InChIKeyQFHFJCQKUJPYSE-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.33
Rot. Bonds6

About 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid

3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 3632641) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
PubChem CID3632641
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-19(22)13-18(15-7-2-1-3-8-15)20-25(23,24)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18,20H,13H2,(H,21,22)
InChIKeyQFHFJCQKUJPYSE-UHFFFAOYSA-N
XLogP3.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid (CID 3632641) is 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid is O=C(O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is QFHFJCQKUJPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-19(22)13-18(15-7-2-1-3-8-15)20-25(23,24)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18,20H,13H2,(H,21,22).
What are the key properties of 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid?
3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 355.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 3632641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).