2-(naphthalen-2-ylsulfonylamino)butanoate

C14H14NO4S- — CID 4110803

IUPAC2-(naphthalen-2-ylsulfonylamino)butanoate
SMILESCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-]
InChIInChI=1S/C14H15NO4S/c1-2-13(14(16)17)15-20(18,19)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13,15H,2H2,1H3,(H,16,17)/p-1
InChIKeyJHMNSCZBIJSNRA-UHFFFAOYSA-M
MW292.34 g/mol
LogP0.65
Rot. Bonds5

About 2-(naphthalen-2-ylsulfonylamino)butanoate

2-(naphthalen-2-ylsulfonylamino)butanoate (PubChem CID 4110803) has the molecular formula C14H14NO4S- and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)butanoate.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)butanoate
PubChem CID4110803
Molecular FormulaC14H14NO4S-
Molecular Weight292.34 g/mol
Exact Mass292.06
IUPAC Name2-(naphthalen-2-ylsulfonylamino)butanoate
SMILESCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-]
InChIInChI=1S/C14H15NO4S/c1-2-13(14(16)17)15-20(18,19)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13,15H,2H2,1H3,(H,16,17)/p-1
InChIKeyJHMNSCZBIJSNRA-UHFFFAOYSA-M
XLogP0.65
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
(2R)-4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid
CID 2055040
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44609101
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoate
CID 7375485

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)butanoate?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)butanoate (CID 4110803) is 2-(naphthalen-2-ylsulfonylamino)butanoate.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)butanoate?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)butanoate is CCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-].
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)butanoate?
The InChIKey is JHMNSCZBIJSNRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NO4S/c1-2-13(14(16)17)15-20(18,19)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13,15H,2H2,1H3,(H,16,17)/p-1.
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)butanoate?
2-(naphthalen-2-ylsulfonylamino)butanoate has a molecular weight of 292.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)butanoate is sourced from PubChem (CID 4110803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).