1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole

C15H14N4O2S — CID 2123457

IUPAC1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnnn2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N4O2S/c1-12-7-9-13(10-8-12)15-16-17-18-19(15)11-22(20,21)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyFJOSXNRCTVCFGJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.08
Rot. Bonds4

About 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole

1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole (PubChem CID 2123457) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole
PubChem CID2123457
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnnn2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N4O2S/c1-12-7-9-13(10-8-12)15-16-17-18-19(15)11-22(20,21)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyFJOSXNRCTVCFGJ-UHFFFAOYSA-N
XLogP2.08
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-Methylphenyl)-pyrrolidin-1-ylmethyl]-1-[(4-methylphenyl)sulfonylmethyl]tetrazole
CID 3193537
4-Methyl-1-{[1-(toluene-4-sulfonylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperidine
CID 3193556
3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonyl chloride
CID 43363648
1-[(4-Fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole
CID 11404795
1-(Benzenesulfonylmethyl)-5-(2,4-difluorophenyl)-1,2,4-triazole
CID 18313586
1-(Benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole
CID 18313623
1-Benzyl-5-p-toluenesulfonyl tetrazole
CID 12079299
1-[2-(2,4-Difluorophenyl)ethyl]-4-[4-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine
CID 9824871
1-[2-(2,4-Difluorophenyl)ethyl]-4-[2-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine
CID 9911472
N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide
CID 71997787
N-[(2-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide
CID 71997831
1-[2-(Benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole
CID 95784868

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole?
The IUPAC name of 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole (CID 2123457) is 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole.
What is the SMILES notation for 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole?
The canonical SMILES for 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole is Cc1ccc(-c2nnnn2CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole?
The InChIKey is FJOSXNRCTVCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-12-7-9-13(10-8-12)15-16-17-18-19(15)11-22(20,21)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole?
1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole has a molecular weight of 314.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethyl)-5-(4-methylphenyl)tetrazole is sourced from PubChem (CID 2123457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).