2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide

C4H8ClN5O2S — CID 107652240

IUPAC2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide
SMILESCn1nnc(NS(=O)(=O)CCCl)n1
InChIInChI=1S/C4H8ClN5O2S/c1-10-7-4(6-9-10)8-13(11,12)3-2-5/h2-3H2,1H3,(H,7,8)
InChIKeyGQKDBRLCOYMXLL-UHFFFAOYSA-N
MW225.66 g/mol
LogP-0.81
Rot. Bonds4

About 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide

2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide (PubChem CID 107652240) has the molecular formula C4H8ClN5O2S and a molecular weight of 225.66 g/mol. Its IUPAC name is 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide
PubChem CID107652240
Molecular FormulaC4H8ClN5O2S
Molecular Weight225.66 g/mol
Exact Mass225.01
IUPAC Name2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide
SMILESCn1nnc(NS(=O)(=O)CCCl)n1
InChIInChI=1S/C4H8ClN5O2S/c1-10-7-4(6-9-10)8-13(11,12)3-2-5/h2-3H2,1H3,(H,7,8)
InChIKeyGQKDBRLCOYMXLL-UHFFFAOYSA-N
XLogP-0.81
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.66
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide (CID 107652240) is 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide is Cn1nnc(NS(=O)(=O)CCCl)n1.
What is the InChIKey of 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide?
The InChIKey is GQKDBRLCOYMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN5O2S/c1-10-7-4(6-9-10)8-13(11,12)3-2-5/h2-3H2,1H3,(H,7,8).
What are the key properties of 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide?
2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide has a molecular weight of 225.66 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyltetrazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 107652240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).