5-(ethylsulfonylmethyl)-1-phenyltetrazole

C10H12N4O2S — CID 47206982

IUPAC5-(ethylsulfonylmethyl)-1-phenyltetrazole
SMILESCCS(=O)(=O)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O2S/c1-2-17(15,16)8-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyGJTJBFYCVOHDCM-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.60
Rot. Bonds4

About 5-(ethylsulfonylmethyl)-1-phenyltetrazole

5-(ethylsulfonylmethyl)-1-phenyltetrazole (PubChem CID 47206982) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-(ethylsulfonylmethyl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(ethylsulfonylmethyl)-1-phenyltetrazole
PubChem CID47206982
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name5-(ethylsulfonylmethyl)-1-phenyltetrazole
SMILESCCS(=O)(=O)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O2S/c1-2-17(15,16)8-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyGJTJBFYCVOHDCM-UHFFFAOYSA-N
XLogP0.60
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-1-phenyltetrazole?
The IUPAC name of 5-(ethylsulfonylmethyl)-1-phenyltetrazole (CID 47206982) is 5-(ethylsulfonylmethyl)-1-phenyltetrazole.
What is the SMILES notation for 5-(ethylsulfonylmethyl)-1-phenyltetrazole?
The canonical SMILES for 5-(ethylsulfonylmethyl)-1-phenyltetrazole is CCS(=O)(=O)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 5-(ethylsulfonylmethyl)-1-phenyltetrazole?
The InChIKey is GJTJBFYCVOHDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-2-17(15,16)8-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 5-(ethylsulfonylmethyl)-1-phenyltetrazole?
5-(ethylsulfonylmethyl)-1-phenyltetrazole has a molecular weight of 252.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfonylmethyl)-1-phenyltetrazole is sourced from PubChem (CID 47206982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).