3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid

C17H18N2O4S — CID 166266133

IUPAC3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cccc(C2CC2)c1)c1ccccn1
InChIInChI=1S/C17H18N2O4S/c20-17(21)11-16(15-6-1-2-9-18-15)19-24(22,23)14-5-3-4-13(10-14)12-7-8-12/h1-6,9-10,12,16,19H,7-8,11H2,(H,20,21)
InChIKeyTWFBYZQMKNVMLO-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.45
Rot. Bonds7

About 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid

3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid (PubChem CID 166266133) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid
PubChem CID166266133
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cccc(C2CC2)c1)c1ccccn1
InChIInChI=1S/C17H18N2O4S/c20-17(21)11-16(15-6-1-2-9-18-15)19-24(22,23)14-5-3-4-13(10-14)12-7-8-12/h1-6,9-10,12,16,19H,7-8,11H2,(H,20,21)
InChIKeyTWFBYZQMKNVMLO-UHFFFAOYSA-N
XLogP2.45
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid (CID 166266133) is 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid is O=C(O)CC(NS(=O)(=O)c1cccc(C2CC2)c1)c1ccccn1.
What is the InChIKey of 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid?
The InChIKey is TWFBYZQMKNVMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-17(21)11-16(15-6-1-2-9-18-15)19-24(22,23)14-5-3-4-13(10-14)12-7-8-12/h1-6,9-10,12,16,19H,7-8,11H2,(H,20,21).
What are the key properties of 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid?
3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid has a molecular weight of 346.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 166266133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).