5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole

C10H12N4O2S — CID 146020824

IUPAC5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole
SMILESCc1cccc(S(=O)(=O)c2nnnn2C)c1C
InChIInChI=1S/C10H12N4O2S/c1-7-5-4-6-9(8(7)2)17(15,16)10-11-12-13-14(10)3/h4-6H,1-3H3
InChIKeyJVMLTAXHWKXEDL-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.66
Rot. Bonds2

About 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole

5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole (PubChem CID 146020824) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole
PubChem CID146020824
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole
SMILESCc1cccc(S(=O)(=O)c2nnnn2C)c1C
InChIInChI=1S/C10H12N4O2S/c1-7-5-4-6-9(8(7)2)17(15,16)10-11-12-13-14(10)3/h4-6H,1-3H3
InChIKeyJVMLTAXHWKXEDL-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole?
The IUPAC name of 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole (CID 146020824) is 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole.
What is the SMILES notation for 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole?
The canonical SMILES for 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole is Cc1cccc(S(=O)(=O)c2nnnn2C)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole?
The InChIKey is JVMLTAXHWKXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-5-4-6-9(8(7)2)17(15,16)10-11-12-13-14(10)3/h4-6H,1-3H3.
What are the key properties of 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole?
5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole has a molecular weight of 252.30 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)sulfonyl-1-methyltetrazole is sourced from PubChem (CID 146020824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).