2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride

C4H7ClN4O2S — CID 103098263

IUPAC2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride
SMILESCc1nnnn1CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClN4O2S/c1-4-6-7-8-9(4)2-3-12(5,10)11/h2-3H2,1H3
InChIKeyHCRJNODIQWVAKM-UHFFFAOYSA-N
MW210.65 g/mol
LogP-0.45
Rot. Bonds3

About 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride

2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride (PubChem CID 103098263) has the molecular formula C4H7ClN4O2S and a molecular weight of 210.65 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride
PubChem CID103098263
Molecular FormulaC4H7ClN4O2S
Molecular Weight210.65 g/mol
Exact Mass210.00
IUPAC Name2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride
SMILESCc1nnnn1CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClN4O2S/c1-4-6-7-8-9(4)2-3-12(5,10)11/h2-3H2,1H3
InChIKeyHCRJNODIQWVAKM-UHFFFAOYSA-N
XLogP-0.45
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.65
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride 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 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride (CID 103098263) is 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride is Cc1nnnn1CCS(=O)(=O)Cl.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride?
The InChIKey is HCRJNODIQWVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4O2S/c1-4-6-7-8-9(4)2-3-12(5,10)11/h2-3H2,1H3.
What are the key properties of 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride?
2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride has a molecular weight of 210.65 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 103098263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).