4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide

C8H9N5O2S — CID 144893676

IUPAC4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCOc1ccc(S(N)=O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H9N5O2S/c1-15-5-2-3-7(16(9)14)6(4-5)8-10-12-13-11-8/h2-4H,9H2,1H3,(H,10,11,12,13)
InChIKeyAKSTXKUHXUZLTB-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.14
Rot. Bonds3

About 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide

4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide (PubChem CID 144893676) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide.

Molecular Properties

Compound Name4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
PubChem CID144893676
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCOc1ccc(S(N)=O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H9N5O2S/c1-15-5-2-3-7(16(9)14)6(4-5)8-10-12-13-11-8/h2-4H,9H2,1H3,(H,10,11,12,13)
InChIKeyAKSTXKUHXUZLTB-UHFFFAOYSA-N
XLogP-0.14
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide 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 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The IUPAC name of 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide (CID 144893676) is 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide.
What is the SMILES notation for 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The canonical SMILES for 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide is COc1ccc(S(N)=O)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The InChIKey is AKSTXKUHXUZLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-15-5-2-3-7(16(9)14)6(4-5)8-10-12-13-11-8/h2-4H,9H2,1H3,(H,10,11,12,13).
What are the key properties of 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide?
4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide has a molecular weight of 239.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide is sourced from PubChem (CID 144893676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).