1-(2-methylphenyl)-5-methylsulfonyltetrazole

C9H10N4O2S — CID 58196885

IUPAC1-(2-methylphenyl)-5-methylsulfonyltetrazole
SMILESCc1ccccc1-n1nnnc1S(C)(=O)=O
InChIInChI=1S/C9H10N4O2S/c1-7-5-3-4-6-8(7)13-9(10-11-12-13)16(2,14)15/h3-6H,1-2H3
InChIKeyNIOYMMZYPNJUKE-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.37
Rot. Bonds2

About 1-(2-methylphenyl)-5-methylsulfonyltetrazole

1-(2-methylphenyl)-5-methylsulfonyltetrazole (PubChem CID 58196885) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-methylsulfonyltetrazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-methylsulfonyltetrazole
PubChem CID58196885
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-(2-methylphenyl)-5-methylsulfonyltetrazole
SMILESCc1ccccc1-n1nnnc1S(C)(=O)=O
InChIInChI=1S/C9H10N4O2S/c1-7-5-3-4-6-8(7)13-9(10-11-12-13)16(2,14)15/h3-6H,1-2H3
InChIKeyNIOYMMZYPNJUKE-UHFFFAOYSA-N
XLogP0.37
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylphenyl)-5-methylsulfonyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-methylsulfonyltetrazole?
The IUPAC name of 1-(2-methylphenyl)-5-methylsulfonyltetrazole (CID 58196885) is 1-(2-methylphenyl)-5-methylsulfonyltetrazole.
What is the SMILES notation for 1-(2-methylphenyl)-5-methylsulfonyltetrazole?
The canonical SMILES for 1-(2-methylphenyl)-5-methylsulfonyltetrazole is Cc1ccccc1-n1nnnc1S(C)(=O)=O.
What is the InChIKey of 1-(2-methylphenyl)-5-methylsulfonyltetrazole?
The InChIKey is NIOYMMZYPNJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-7-5-3-4-6-8(7)13-9(10-11-12-13)16(2,14)15/h3-6H,1-2H3.
What are the key properties of 1-(2-methylphenyl)-5-methylsulfonyltetrazole?
1-(2-methylphenyl)-5-methylsulfonyltetrazole has a molecular weight of 238.27 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-methylsulfonyltetrazole is sourced from PubChem (CID 58196885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).