1-(4-ethenylsulfonylphenyl)tetrazole

C9H8N4O2S — CID 102223380

IUPAC1-(4-ethenylsulfonylphenyl)tetrazole
SMILESC=CS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H8N4O2S/c1-2-16(14,15)9-5-3-8(4-6-9)13-7-10-11-12-13/h2-7H,1H2
InChIKeyGUYQDFGVZLDSJQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.58
Rot. Bonds3

About 1-(4-ethenylsulfonylphenyl)tetrazole

1-(4-ethenylsulfonylphenyl)tetrazole (PubChem CID 102223380) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-(4-ethenylsulfonylphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-ethenylsulfonylphenyl)tetrazole
PubChem CID102223380
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name1-(4-ethenylsulfonylphenyl)tetrazole
SMILESC=CS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H8N4O2S/c1-2-16(14,15)9-5-3-8(4-6-9)13-7-10-11-12-13/h2-7H,1H2
InChIKeyGUYQDFGVZLDSJQ-UHFFFAOYSA-N
XLogP0.58
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
4-(tetrazol-1-yl)benzaldehyde
CID 55266152
4-(tetrazol-1-yl)phenolate
CID 101371881
2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 3173758
N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 650971
1-(4-fluorophenyl)tetrazole
CID 825628
2-[4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 1448946
sodium 4-(tetrazol-1-yl)benzenesulfinate
CID 165454670
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
[4-(tetrazol-1-yl)phenyl] trifluoromethanesulfonate
CID 88559232

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylsulfonylphenyl)tetrazole?
The IUPAC name of 1-(4-ethenylsulfonylphenyl)tetrazole (CID 102223380) is 1-(4-ethenylsulfonylphenyl)tetrazole.
What is the SMILES notation for 1-(4-ethenylsulfonylphenyl)tetrazole?
The canonical SMILES for 1-(4-ethenylsulfonylphenyl)tetrazole is C=CS(=O)(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-(4-ethenylsulfonylphenyl)tetrazole?
The InChIKey is GUYQDFGVZLDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-2-16(14,15)9-5-3-8(4-6-9)13-7-10-11-12-13/h2-7H,1H2.
What are the key properties of 1-(4-ethenylsulfonylphenyl)tetrazole?
1-(4-ethenylsulfonylphenyl)tetrazole has a molecular weight of 236.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylsulfonylphenyl)tetrazole is sourced from PubChem (CID 102223380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).