2-(4-methylphenyl)sulfonyl-5-phenyltetrazole

C14H12N4O2S — CID 139921608

IUPAC2-(4-methylphenyl)sulfonyl-5-phenyltetrazole
SMILESCc1ccc(S(=O)(=O)n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N4O2S/c1-11-7-9-13(10-8-11)21(19,20)18-16-14(15-17-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBUEXIIMIXQVMSM-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.89
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole

2-(4-methylphenyl)sulfonyl-5-phenyltetrazole (PubChem CID 139921608) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-5-phenyltetrazole
PubChem CID139921608
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(4-methylphenyl)sulfonyl-5-phenyltetrazole
SMILESCc1ccc(S(=O)(=O)n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N4O2S/c1-11-7-9-13(10-8-11)21(19,20)18-16-14(15-17-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBUEXIIMIXQVMSM-UHFFFAOYSA-N
XLogP1.89
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole (CID 139921608) is 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole is Cc1ccc(S(=O)(=O)n2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole?
The InChIKey is BUEXIIMIXQVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-11-7-9-13(10-8-11)21(19,20)18-16-14(15-17-18)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole?
2-(4-methylphenyl)sulfonyl-5-phenyltetrazole has a molecular weight of 300.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-5-phenyltetrazole is sourced from PubChem (CID 139921608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).