N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide

C8H9N5O2S — CID 23541052

IUPACN-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5O2S/c1-9-16(14,15)7-4-2-6(3-5-7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13)
InChIKeyASDBGLDUTOFTAM-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.23
Rot. Bonds3

About N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide

N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 23541052) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID23541052
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC NameN-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5O2S/c1-9-16(14,15)7-4-2-6(3-5-7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13)
InChIKeyASDBGLDUTOFTAM-UHFFFAOYSA-N
XLogP-0.23
TPSA100.63 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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-(2H-tetrazol-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 N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide (CID 23541052) is N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ASDBGLDUTOFTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-9-16(14,15)7-4-2-6(3-5-7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13).
What are the key properties of N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide?
N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 239.26 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 23541052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).