[6-(benzenesulfonyl)naphthalen-1-yl]methanamine

C17H15NO2S — CID 59028770

IUPAC[6-(benzenesulfonyl)naphthalen-1-yl]methanamine
SMILESNCc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C17H15NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-11H,12,18H2
InChIKeyKZSULAPOCANFMK-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.13
Rot. Bonds3

About [6-(benzenesulfonyl)naphthalen-1-yl]methanamine

[6-(benzenesulfonyl)naphthalen-1-yl]methanamine (PubChem CID 59028770) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is [6-(benzenesulfonyl)naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[6-(benzenesulfonyl)naphthalen-1-yl]methanamine
PubChem CID59028770
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name[6-(benzenesulfonyl)naphthalen-1-yl]methanamine
SMILESNCc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C17H15NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-11H,12,18H2
InChIKeyKZSULAPOCANFMK-UHFFFAOYSA-N
XLogP3.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(benzenesulfonyl)naphthalen-1-yl]methanamine?
The IUPAC name of [6-(benzenesulfonyl)naphthalen-1-yl]methanamine (CID 59028770) is [6-(benzenesulfonyl)naphthalen-1-yl]methanamine.
What is the SMILES notation for [6-(benzenesulfonyl)naphthalen-1-yl]methanamine?
The canonical SMILES for [6-(benzenesulfonyl)naphthalen-1-yl]methanamine is NCc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12.
What is the InChIKey of [6-(benzenesulfonyl)naphthalen-1-yl]methanamine?
The InChIKey is KZSULAPOCANFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-11H,12,18H2.
What are the key properties of [6-(benzenesulfonyl)naphthalen-1-yl]methanamine?
[6-(benzenesulfonyl)naphthalen-1-yl]methanamine has a molecular weight of 297.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzenesulfonyl)naphthalen-1-yl]methanamine is sourced from PubChem (CID 59028770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).