2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate

C14H15NO4S — CID 21414219

IUPAC2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1cccc2ccc(N)cc12
InChIInChI=1S/C14H15NO4S/c1-10(16)19-7-8-20(17,18)14-4-2-3-11-5-6-12(15)9-13(11)14/h2-6,9H,7-8,15H2,1H3
InChIKeyVKZWKYMLZLJIOG-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.76
Rot. Bonds4

About 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate

2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate (PubChem CID 21414219) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate.

Molecular Properties

Compound Name2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate
PubChem CID21414219
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1cccc2ccc(N)cc12
InChIInChI=1S/C14H15NO4S/c1-10(16)19-7-8-20(17,18)14-4-2-3-11-5-6-12(15)9-13(11)14/h2-6,9H,7-8,15H2,1H3
InChIKeyVKZWKYMLZLJIOG-UHFFFAOYSA-N
XLogP1.76
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-((6-Amino-2-naphthyl)sulphonyl)ethanol
CID 104125
Naphthalene, 1-amino-5-methylsulphonyl-
CID 23423655
Naphthalene, 2-amino-6-methylsulphonyl-
CID 23423665
Ethanol, 2-((7-amino-1-naphthalenyl)sulfonyl)-
CID 170719
Naphthalene, 1-amino-8-methylsulphonyl-
CID 23423658
Naphthalene, 2-amino-1-methylsulphonyl-
CID 23423662
Naphthalene, 2-amino-4-methylsulphonyl-
CID 23423663
Naphthalene, 2-amino-5-methylsulphonyl-
CID 23423664
Naphthalene, 2-amino-7-methylsulphonyl-
CID 23423666
Naphthalene, 2-amino-8-methylsulphonyl-
CID 23423667
1-Tert-butylsulfonylnaphthalen-2-amine
CID 162717015
2-(6-Aminonaphthalen-2-yl)sulfonylethyl hydrogen sulfate
CID 12081098

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate?
The IUPAC name of 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate (CID 21414219) is 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate.
What is the SMILES notation for 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate?
The canonical SMILES for 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate is CC(=O)OCCS(=O)(=O)c1cccc2ccc(N)cc12.
What is the InChIKey of 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate?
The InChIKey is VKZWKYMLZLJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-10(16)19-7-8-20(17,18)14-4-2-3-11-5-6-12(15)9-13(11)14/h2-6,9H,7-8,15H2,1H3.
What are the key properties of 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate?
2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate has a molecular weight of 293.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminonaphthalen-1-yl)sulfonylethyl acetate is sourced from PubChem (CID 21414219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).