1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole

C10H12N4O2S — CID 716002

IUPAC1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole
SMILESCc1ccc(-n2nnnc2S(C)(=O)=O)c(C)c1
InChIInChI=1S/C10H12N4O2S/c1-7-4-5-9(8(2)6-7)14-10(11-12-13-14)17(3,15)16/h4-6H,1-3H3
InChIKeyLNLFGYHNVSWYRS-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.68
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole

1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole (PubChem CID 716002) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole
PubChem CID716002
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole
SMILESCc1ccc(-n2nnnc2S(C)(=O)=O)c(C)c1
InChIInChI=1S/C10H12N4O2S/c1-7-4-5-9(8(2)6-7)14-10(11-12-13-14)17(3,15)16/h4-6H,1-3H3
InChIKeyLNLFGYHNVSWYRS-UHFFFAOYSA-N
XLogP0.68
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole (CID 716002) is 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole is Cc1ccc(-n2nnnc2S(C)(=O)=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole?
The InChIKey is LNLFGYHNVSWYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-4-5-9(8(2)6-7)14-10(11-12-13-14)17(3,15)16/h4-6H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole?
1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole has a molecular weight of 252.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-methylsulfonyltetrazole is sourced from PubChem (CID 716002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).