2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole

C15H13ClN4O2S — CID 134131852

IUPAC2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole
SMILESO=S(=O)(CCn1nnc(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C15H13ClN4O2S/c16-14-9-5-4-8-13(14)15-17-19-20(18-15)10-11-23(21,22)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyIIBWISZWJJWGAR-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole

2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole (PubChem CID 134131852) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole
PubChem CID134131852
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole
SMILESO=S(=O)(CCn1nnc(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C15H13ClN4O2S/c16-14-9-5-4-8-13(14)15-17-19-20(18-15)10-11-23(21,22)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyIIBWISZWJJWGAR-UHFFFAOYSA-N
XLogP2.47
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole (CID 134131852) is 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole is O=S(=O)(CCn1nnc(-c2ccccc2Cl)n1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole?
The InChIKey is IIBWISZWJJWGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-14-9-5-4-8-13(14)15-17-19-20(18-15)10-11-23(21,22)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole?
2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole has a molecular weight of 348.82 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethyl]-5-(2-chlorophenyl)tetrazole is sourced from PubChem (CID 134131852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).