2-(1-methyltetrazol-5-yl)benzenesulfonamide

C8H9N5O2S — CID 14179829

IUPAC2-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H9N5O2S/c1-13-8(10-11-12-13)6-4-2-3-5-7(6)16(9,14)15/h2-5H,1H3,(H2,9,14,15)
InChIKeyFUCAOINCGJBFPX-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.48
Rot. Bonds2

About 2-(1-methyltetrazol-5-yl)benzenesulfonamide

2-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 14179829) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID14179829
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H9N5O2S/c1-13-8(10-11-12-13)6-4-2-3-5-7(6)16(9,14)15/h2-5H,1H3,(H2,9,14,15)
InChIKeyFUCAOINCGJBFPX-UHFFFAOYSA-N
XLogP-0.48
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-methyltetrazol-5-yl)benzenesulfonamide 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-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 14179829) is 2-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)benzenesulfonamide is Cn1nnnc1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is FUCAOINCGJBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-13-8(10-11-12-13)6-4-2-3-5-7(6)16(9,14)15/h2-5H,1H3,(H2,9,14,15).
What are the key properties of 2-(1-methyltetrazol-5-yl)benzenesulfonamide?
2-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 239.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 14179829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).