5-methylsulfonyl-1-naphthalen-1-yltetrazole

C12H10N4O2S — CID 687203

IUPAC5-methylsulfonyl-1-naphthalen-1-yltetrazole
SMILESCS(=O)(=O)c1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyGMOPMVYORVRFNP-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.22
Rot. Bonds2

About 5-methylsulfonyl-1-naphthalen-1-yltetrazole

5-methylsulfonyl-1-naphthalen-1-yltetrazole (PubChem CID 687203) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-methylsulfonyl-1-naphthalen-1-yltetrazole.

Molecular Properties

Compound Name5-methylsulfonyl-1-naphthalen-1-yltetrazole
PubChem CID687203
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name5-methylsulfonyl-1-naphthalen-1-yltetrazole
SMILESCS(=O)(=O)c1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyGMOPMVYORVRFNP-UHFFFAOYSA-N
XLogP1.22
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-naphthalen-1-yltetrazole?
The IUPAC name of 5-methylsulfonyl-1-naphthalen-1-yltetrazole (CID 687203) is 5-methylsulfonyl-1-naphthalen-1-yltetrazole.
What is the SMILES notation for 5-methylsulfonyl-1-naphthalen-1-yltetrazole?
The canonical SMILES for 5-methylsulfonyl-1-naphthalen-1-yltetrazole is CS(=O)(=O)c1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 5-methylsulfonyl-1-naphthalen-1-yltetrazole?
The InChIKey is GMOPMVYORVRFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-19(17,18)12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 5-methylsulfonyl-1-naphthalen-1-yltetrazole?
5-methylsulfonyl-1-naphthalen-1-yltetrazole has a molecular weight of 274.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-naphthalen-1-yltetrazole is sourced from PubChem (CID 687203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).