N-(6-aminonaphthalen-2-yl)sulfonylpropanamide

C13H14N2O3S — CID 15120818

IUPACN-(6-aminonaphthalen-2-yl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc2cc(N)ccc2c1
InChIInChI=1S/C13H14N2O3S/c1-2-13(16)15-19(17,18)12-6-4-9-7-11(14)5-3-10(9)8-12/h3-8H,2,14H2,1H3,(H,15,16)
InChIKeyUGCJQXXPKZVHAU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.64
Rot. Bonds3

About N-(6-aminonaphthalen-2-yl)sulfonylpropanamide

N-(6-aminonaphthalen-2-yl)sulfonylpropanamide (PubChem CID 15120818) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(6-aminonaphthalen-2-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(6-aminonaphthalen-2-yl)sulfonylpropanamide
PubChem CID15120818
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(6-aminonaphthalen-2-yl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc2cc(N)ccc2c1
InChIInChI=1S/C13H14N2O3S/c1-2-13(16)15-19(17,18)12-6-4-9-7-11(14)5-3-10(9)8-12/h3-8H,2,14H2,1H3,(H,15,16)
InChIKeyUGCJQXXPKZVHAU-UHFFFAOYSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminonaphthalen-2-yl)sulfonylpropanamide?
The IUPAC name of N-(6-aminonaphthalen-2-yl)sulfonylpropanamide (CID 15120818) is N-(6-aminonaphthalen-2-yl)sulfonylpropanamide.
What is the SMILES notation for N-(6-aminonaphthalen-2-yl)sulfonylpropanamide?
The canonical SMILES for N-(6-aminonaphthalen-2-yl)sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1ccc2cc(N)ccc2c1.
What is the InChIKey of N-(6-aminonaphthalen-2-yl)sulfonylpropanamide?
The InChIKey is UGCJQXXPKZVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-13(16)15-19(17,18)12-6-4-9-7-11(14)5-3-10(9)8-12/h3-8H,2,14H2,1H3,(H,15,16).
What are the key properties of N-(6-aminonaphthalen-2-yl)sulfonylpropanamide?
N-(6-aminonaphthalen-2-yl)sulfonylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminonaphthalen-2-yl)sulfonylpropanamide is sourced from PubChem (CID 15120818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).