2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole

C10H12N4O2S — CID 122149722

IUPAC2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole
SMILESCc1ccc(S(=O)(=O)Cc2nnn(C)n2)cc1
InChIInChI=1S/C10H12N4O2S/c1-8-3-5-9(6-4-8)17(15,16)7-10-11-13-14(2)12-10/h3-6H,7H2,1-2H3
InChIKeyWEUVQHIWJZYDSC-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.49
Rot. Bonds3

About 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole

2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole (PubChem CID 122149722) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole
PubChem CID122149722
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole
SMILESCc1ccc(S(=O)(=O)Cc2nnn(C)n2)cc1
InChIInChI=1S/C10H12N4O2S/c1-8-3-5-9(6-4-8)17(15,16)7-10-11-13-14(2)12-10/h3-6H,7H2,1-2H3
InChIKeyWEUVQHIWJZYDSC-UHFFFAOYSA-N
XLogP0.49
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole (CID 122149722) is 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole is Cc1ccc(S(=O)(=O)Cc2nnn(C)n2)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole?
The InChIKey is WEUVQHIWJZYDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-8-3-5-9(6-4-8)17(15,16)7-10-11-13-14(2)12-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole?
2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole has a molecular weight of 252.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]tetrazole is sourced from PubChem (CID 122149722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).