N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine

C19H17N5O2S — CID 47068669

IUPACN-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CNc2cccc3ccccc23)cc1
InChIInChI=1S/C19H17N5O2S/c1-27(25,26)16-11-9-15(10-12-16)24-19(21-22-23-24)13-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3
InChIKeyCSJXTGAFZAHWGH-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.83
Rot. Bonds5

About N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine

N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine (PubChem CID 47068669) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
PubChem CID47068669
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CNc2cccc3ccccc23)cc1
InChIInChI=1S/C19H17N5O2S/c1-27(25,26)16-11-9-15(10-12-16)24-19(21-22-23-24)13-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3
InChIKeyCSJXTGAFZAHWGH-UHFFFAOYSA-N
XLogP2.83
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine?
The IUPAC name of N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine (CID 47068669) is N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine.
What is the SMILES notation for N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine?
The canonical SMILES for N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine is CS(=O)(=O)c1ccc(-n2nnnc2CNc2cccc3ccccc23)cc1.
What is the InChIKey of N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine?
The InChIKey is CSJXTGAFZAHWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-27(25,26)16-11-9-15(10-12-16)24-19(21-22-23-24)13-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3.
What are the key properties of N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine?
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine has a molecular weight of 379.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine is sourced from PubChem (CID 47068669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).