3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C11H16N6O2S — CID 106504713

IUPAC3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCc2nn[nH]n2)c1C
InChIInChI=1S/C11H16N6O2S/c1-6-4-9(12)8(3)11(7(6)2)20(18,19)13-5-10-14-16-17-15-10/h4,13H,5,12H2,1-3H3,(H,14,15,16,17)
InChIKeyLWVDOQVFCVJJSQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.19
Rot. Bonds4

About 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106504713) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID106504713
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCc2nn[nH]n2)c1C
InChIInChI=1S/C11H16N6O2S/c1-6-4-9(12)8(3)11(7(6)2)20(18,19)13-5-10-14-16-17-15-10/h4,13H,5,12H2,1-3H3,(H,14,15,16,17)
InChIKeyLWVDOQVFCVJJSQ-UHFFFAOYSA-N
XLogP0.19
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2,5,6-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391977
3-amino-2,5,6-trimethyl-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 106505432
2-[(3-amino-2,5,6-trimethylphenyl)sulfonylamino]ethylurea
CID 106505300
3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62955847
4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 82843953
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 81438010
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106051610
5-(hydroxymethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
CID 114134553
3-amino-N-(3-methoxypropyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503739
4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720166

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 106504713) is 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCc2nn[nH]n2)c1C.
What is the InChIKey of 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is LWVDOQVFCVJJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-6-4-9(12)8(3)11(7(6)2)20(18,19)13-5-10-14-16-17-15-10/h4,13H,5,12H2,1-3H3,(H,14,15,16,17).
What are the key properties of 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106504713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).