1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole

C15H13FN4O2S — CID 95784868

IUPAC1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole
SMILESO=S(=O)(CCn1nnnc1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H13FN4O2S/c16-14-9-5-4-8-13(14)15-17-18-19-20(15)10-11-23(21,22)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyVUKRQURRAUMFQH-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole

1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole (PubChem CID 95784868) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole
PubChem CID95784868
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole
SMILESO=S(=O)(CCn1nnnc1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H13FN4O2S/c16-14-9-5-4-8-13(14)15-17-18-19-20(15)10-11-23(21,22)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyVUKRQURRAUMFQH-UHFFFAOYSA-N
XLogP1.95
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole (CID 95784868) is 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole is O=S(=O)(CCn1nnnc1-c1ccccc1F)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole?
The InChIKey is VUKRQURRAUMFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-14-9-5-4-8-13(14)15-17-18-19-20(15)10-11-23(21,22)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole?
1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole has a molecular weight of 332.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-5-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 95784868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).