2-methyl-5-(4-methylsulfonylphenyl)tetrazole

C9H10N4O2S — CID 71011652

IUPAC2-methyl-5-(4-methylsulfonylphenyl)tetrazole
SMILESCn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C9H10N4O2S/c1-13-11-9(10-12-13)7-3-5-8(6-4-7)16(2,14)15/h3-6H,1-2H3
InChIKeyNHEPFPHBTPYYJL-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.28
Rot. Bonds2

About 2-methyl-5-(4-methylsulfonylphenyl)tetrazole

2-methyl-5-(4-methylsulfonylphenyl)tetrazole (PubChem CID 71011652) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfonylphenyl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfonylphenyl)tetrazole
PubChem CID71011652
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-methyl-5-(4-methylsulfonylphenyl)tetrazole
SMILESCn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C9H10N4O2S/c1-13-11-9(10-12-13)7-3-5-8(6-4-7)16(2,14)15/h3-6H,1-2H3
InChIKeyNHEPFPHBTPYYJL-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{5-[4-(methylsulfonyl)phenyl]-2H-tetrazol-2-yl}acetamide
CID 6491356
N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6491357
ethyl {5-[4-(methylsulfonyl)phenyl]-2H-tetrazol-2-yl}acetate
CID 715241
2-(4-methylbenzyl)-5-[4-(methylthio)phenyl]-2H-tetrazole
CID 892736
5-[4-(methylsulfonyl)phenyl]-2H-tetrazole
CID 655148
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]-N-methyl-benzenesulfonamide
CID 137500400
5-[4-(Methylthio)phenyl]-1H-tetrazole
CID 4772872
4-(2H-Tetrazol-5-yl)benzenesulfonamide
CID 23359224
4-(1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonyl chloride
CID 52911271
2-[2-(Benzenesulfonyl)ethyl]-5-phenyltetrazole
CID 60592759
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethane-1-sulfonyl fluoride
CID 16227082
3-(3-Fluoropropyl)-6-[4-(methylsulfinyl)phenyl]-1,2,4,5-tetrazine
CID 169409407

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)tetrazole?
The IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)tetrazole (CID 71011652) is 2-methyl-5-(4-methylsulfonylphenyl)tetrazole.
What is the SMILES notation for 2-methyl-5-(4-methylsulfonylphenyl)tetrazole?
The canonical SMILES for 2-methyl-5-(4-methylsulfonylphenyl)tetrazole is Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-methyl-5-(4-methylsulfonylphenyl)tetrazole?
The InChIKey is NHEPFPHBTPYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-11-9(10-12-13)7-3-5-8(6-4-7)16(2,14)15/h3-6H,1-2H3.
What are the key properties of 2-methyl-5-(4-methylsulfonylphenyl)tetrazole?
2-methyl-5-(4-methylsulfonylphenyl)tetrazole has a molecular weight of 238.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfonylphenyl)tetrazole is sourced from PubChem (CID 71011652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).