5-butylsulfonyl-1-phenyltetrazole

C11H14N4O2S — CID 53261455

IUPAC5-butylsulfonyl-1-phenyltetrazole
SMILESCCCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4O2S/c1-2-3-9-18(16,17)11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyFSUGWNZPOPKNAK-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.24
Rot. Bonds5

About 5-butylsulfonyl-1-phenyltetrazole

5-butylsulfonyl-1-phenyltetrazole (PubChem CID 53261455) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-butylsulfonyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-butylsulfonyl-1-phenyltetrazole
PubChem CID53261455
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-butylsulfonyl-1-phenyltetrazole
SMILESCCCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4O2S/c1-2-3-9-18(16,17)11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyFSUGWNZPOPKNAK-UHFFFAOYSA-N
XLogP1.24
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-butylsulfonyl-1-phenyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonyl-1-phenyltetrazole?
The IUPAC name of 5-butylsulfonyl-1-phenyltetrazole (CID 53261455) is 5-butylsulfonyl-1-phenyltetrazole.
What is the SMILES notation for 5-butylsulfonyl-1-phenyltetrazole?
The canonical SMILES for 5-butylsulfonyl-1-phenyltetrazole is CCCCS(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-butylsulfonyl-1-phenyltetrazole?
The InChIKey is FSUGWNZPOPKNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-3-9-18(16,17)11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 5-butylsulfonyl-1-phenyltetrazole?
5-butylsulfonyl-1-phenyltetrazole has a molecular weight of 266.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfonyl-1-phenyltetrazole is sourced from PubChem (CID 53261455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).