4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid

C15H17NO4S — CID 115776536

IUPAC4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO4S/c1-16(11-5-10-15(17)18)21(19,20)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,10-11H2,1H3,(H,17,18)
InChIKeyLKDJCEQDYMICIB-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.33
Rot. Bonds6

About 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid

4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid (PubChem CID 115776536) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
PubChem CID115776536
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO4S/c1-16(11-5-10-15(17)18)21(19,20)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,10-11H2,1H3,(H,17,18)
InChIKeyLKDJCEQDYMICIB-UHFFFAOYSA-N
XLogP2.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid (CID 115776536) is 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid?
The InChIKey is LKDJCEQDYMICIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-16(11-5-10-15(17)18)21(19,20)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,10-11H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid?
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid has a molecular weight of 307.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 115776536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).