3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid

C14H15NO4S — CID 1242537

IUPAC3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid
SMILESCc1ccc2cc(S(=O)(=O)NCCC(=O)O)ccc2c1
InChIInChI=1S/C14H15NO4S/c1-10-2-3-12-9-13(5-4-11(12)8-10)20(18,19)15-7-6-14(16)17/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)
InChIKeyRVPUKQLGBNQMQA-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.90
Rot. Bonds5

About 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid

3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid (PubChem CID 1242537) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid
PubChem CID1242537
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid
SMILESCc1ccc2cc(S(=O)(=O)NCCC(=O)O)ccc2c1
InChIInChI=1S/C14H15NO4S/c1-10-2-3-12-9-13(5-4-11(12)8-10)20(18,19)15-7-6-14(16)17/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)
InChIKeyRVPUKQLGBNQMQA-UHFFFAOYSA-N
XLogP1.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid (CID 1242537) is 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid is Cc1ccc2cc(S(=O)(=O)NCCC(=O)O)ccc2c1.
What is the InChIKey of 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid?
The InChIKey is RVPUKQLGBNQMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-10-2-3-12-9-13(5-4-11(12)8-10)20(18,19)15-7-6-14(16)17/h2-5,8-9,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid?
3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid has a molecular weight of 293.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylnaphthalen-2-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 1242537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).