2-[(4-cyanophenyl)sulfonylamino]propanoic acid

C10H10N2O4S — CID 43080764

IUPAC2-[(4-cyanophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C10H10N2O4S/c1-7(10(13)14)12-17(15,16)9-4-2-8(6-11)3-5-9/h2-5,7,12H,1H3,(H,13,14)
InChIKeyUSRSVPGHBMPFNV-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.31
Rot. Bonds4

About 2-[(4-cyanophenyl)sulfonylamino]propanoic acid

2-[(4-cyanophenyl)sulfonylamino]propanoic acid (PubChem CID 43080764) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonylamino]propanoic acid
PubChem CID43080764
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name2-[(4-cyanophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C10H10N2O4S/c1-7(10(13)14)12-17(15,16)9-4-2-8(6-11)3-5-9/h2-5,7,12H,1H3,(H,13,14)
InChIKeyUSRSVPGHBMPFNV-UHFFFAOYSA-N
XLogP0.31
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(4-cyanophenyl)sulfonylamino]propanoic acid (CID 43080764) is 2-[(4-cyanophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonylamino]propanoic acid?
The InChIKey is USRSVPGHBMPFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-7(10(13)14)12-17(15,16)9-4-2-8(6-11)3-5-9/h2-5,7,12H,1H3,(H,13,14).
What are the key properties of 2-[(4-cyanophenyl)sulfonylamino]propanoic acid?
2-[(4-cyanophenyl)sulfonylamino]propanoic acid has a molecular weight of 254.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43080764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).