3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid

C19H17NO4S — CID 9234966

IUPAC3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO4S/c21-19(22)12-7-14-5-10-18(11-6-14)25(23,24)20-17-9-8-15-3-1-2-4-16(15)13-17/h1-6,8-11,13,20H,7,12H2,(H,21,22)
InChIKeyAOBHGRBHJPOMCB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.66
Rot. Bonds6

About 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid

3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid (PubChem CID 9234966) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
PubChem CID9234966
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO4S/c21-19(22)12-7-14-5-10-18(11-6-14)25(23,24)20-17-9-8-15-3-1-2-4-16(15)13-17/h1-6,8-11,13,20H,7,12H2,(H,21,22)
InChIKeyAOBHGRBHJPOMCB-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid (CID 9234966) is 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid?
The InChIKey is AOBHGRBHJPOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-19(22)12-7-14-5-10-18(11-6-14)25(23,24)20-17-9-8-15-3-1-2-4-16(15)13-17/h1-6,8-11,13,20H,7,12H2,(H,21,22).
What are the key properties of 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid?
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid has a molecular weight of 355.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid is sourced from PubChem (CID 9234966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).