2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide

C9H13N7O2S — CID 80646512

IUPAC2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2nn[nH]n2)cc1N
InChIInChI=1S/C9H13N7O2S/c1-11-19(17,18)8-3-2-6(4-7(8)10)12-5-9-13-15-16-14-9/h2-4,11-12H,5,10H2,1H3,(H,13,14,15,16)
InChIKeyUBOQWVLPFWBHLJ-UHFFFAOYSA-N
MW283.32 g/mol
LogP-0.70
Rot. Bonds5

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

2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide (PubChem CID 80646512) has the molecular formula C9H13N7O2S and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
PubChem CID80646512
Molecular FormulaC9H13N7O2S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Name2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2nn[nH]n2)cc1N
InChIInChI=1S/C9H13N7O2S/c1-11-19(17,18)8-3-2-6(4-7(8)10)12-5-9-13-15-16-14-9/h2-4,11-12H,5,10H2,1H3,(H,13,14,15,16)
InChIKeyUBOQWVLPFWBHLJ-UHFFFAOYSA-N
XLogP-0.70
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 80645593
2-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 80645661
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
2-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 80646018
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-N-methyl-4-[(4-methylthiophen-3-yl)methylamino]benzenesulfonamide
CID 80646024
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106504713
2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide
CID 80646159

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide (CID 80646512) is 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2nn[nH]n2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is UBOQWVLPFWBHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2S/c1-11-19(17,18)8-3-2-6(4-7(8)10)12-5-9-13-15-16-14-9/h2-4,11-12H,5,10H2,1H3,(H,13,14,15,16).
What are the key properties of 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide?
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide has a molecular weight of 283.32 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 80646512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).