5-ethylsulfonyl-1-phenyltetrazole

C9H10N4O2S — CID 753662

IUPAC5-ethylsulfonyl-1-phenyltetrazole
SMILESCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C9H10N4O2S/c1-2-16(14,15)9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyVZFCSFHTLJFUKD-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.46
Rot. Bonds3

About 5-ethylsulfonyl-1-phenyltetrazole

5-ethylsulfonyl-1-phenyltetrazole (PubChem CID 753662) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-ethylsulfonyl-1-phenyltetrazole
PubChem CID753662
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name5-ethylsulfonyl-1-phenyltetrazole
SMILESCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C9H10N4O2S/c1-2-16(14,15)9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyVZFCSFHTLJFUKD-UHFFFAOYSA-N
XLogP0.46
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-1,2,3,4-Tetrazole, 1-(3-methylphenyl)-5-(methylsulfonyl)-
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Stk291648
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3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
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[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
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2-(1-Phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033
2-[1-(4-Methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propanenitrile
CID 3242053
3-(1-Phenyl-1,2,3,4-tetraazol-5-ylthio)pentane-2,4-dione
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1-phenyl-5-[(phenylsulfonyl)methyl]-1H-tetrazole
CID 16452094

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-phenyltetrazole?
The IUPAC name of 5-ethylsulfonyl-1-phenyltetrazole (CID 753662) is 5-ethylsulfonyl-1-phenyltetrazole.
What is the SMILES notation for 5-ethylsulfonyl-1-phenyltetrazole?
The canonical SMILES for 5-ethylsulfonyl-1-phenyltetrazole is CCS(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-ethylsulfonyl-1-phenyltetrazole?
The InChIKey is VZFCSFHTLJFUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-2-16(14,15)9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-phenyltetrazole?
5-ethylsulfonyl-1-phenyltetrazole has a molecular weight of 238.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-phenyltetrazole is sourced from PubChem (CID 753662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).