2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid

C15H14ClNO5S — CID 3301090

IUPAC2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO5S/c1-10(15(18)19)17-23(20,21)12-8-6-11(7-9-12)22-14-5-3-2-4-13(14)16/h2-10,17H,1H3,(H,18,19)
InChIKeyIETNEQSPEDIHAV-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.88
Rot. Bonds6

About 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid

2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid (PubChem CID 3301090) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid
PubChem CID3301090
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO5S/c1-10(15(18)19)17-23(20,21)12-8-6-11(7-9-12)22-14-5-3-2-4-13(14)16/h2-10,17H,1H3,(H,18,19)
InChIKeyIETNEQSPEDIHAV-UHFFFAOYSA-N
XLogP2.88
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid (CID 3301090) is 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid?
The InChIKey is IETNEQSPEDIHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-10(15(18)19)17-23(20,21)12-8-6-11(7-9-12)22-14-5-3-2-4-13(14)16/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid?
2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid has a molecular weight of 355.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 3301090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).