1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid

C15H15NO4S — CID 114795458

IUPAC1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc3ccccc23)CCC1
InChIInChI=1S/C15H15NO4S/c17-14(18)15(9-4-10-15)16-21(19,20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,16H,4,9-10H2,(H,17,18)
InChIKeyXUAJZEYJQMPSOL-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.13
Rot. Bonds4

About 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid

1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 114795458) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID114795458
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc3ccccc23)CCC1
InChIInChI=1S/C15H15NO4S/c17-14(18)15(9-4-10-15)16-21(19,20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,16H,4,9-10H2,(H,17,18)
InChIKeyXUAJZEYJQMPSOL-UHFFFAOYSA-N
XLogP2.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid (CID 114795458) is 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cccc3ccccc23)CCC1.
What is the InChIKey of 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is XUAJZEYJQMPSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-14(18)15(9-4-10-15)16-21(19,20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,16H,4,9-10H2,(H,17,18).
What are the key properties of 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid?
1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114795458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).