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

C10H14N6O2S — CID 103171404

IUPAC2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2nn[nH]n2)c1N
InChIInChI=1S/C10H14N6O2S/c1-6-3-4-7(2)10(9(6)11)19(17,18)12-5-8-13-15-16-14-8/h3-4,12H,5,11H2,1-2H3,(H,13,14,15,16)
InChIKeyFQMPUPYEMMHRCT-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.12
Rot. Bonds4

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

2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 103171404) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID103171404
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2nn[nH]n2)c1N
InChIInChI=1S/C10H14N6O2S/c1-6-3-4-7(2)10(9(6)11)19(17,18)12-5-8-13-15-16-14-8/h3-4,12H,5,11H2,1-2H3,(H,13,14,15,16)
InChIKeyFQMPUPYEMMHRCT-UHFFFAOYSA-N
XLogP-0.12
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 103171404) is 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2nn[nH]n2)c1N.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is FQMPUPYEMMHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-6-3-4-7(2)10(9(6)11)19(17,18)12-5-8-13-15-16-14-8/h3-4,12H,5,11H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103171404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).