5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide

C8H14N4O2S — CID 83013156

IUPAC5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
SMILESCN(C)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C8H14N4O2S/c1-12(2)11-7-4-3-6(9)5-8(7)15(10,13)14/h3-5,11H,9H2,1-2H3,(H2,10,13,14)
InChIKeyMXZDUTSKNGJTQW-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.20
Rot. Bonds3

About 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide

5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide (PubChem CID 83013156) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
PubChem CID83013156
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
SMILESCN(C)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C8H14N4O2S/c1-12(2)11-7-4-3-6(9)5-8(7)15(10,13)14/h3-5,11H,9H2,1-2H3,(H2,10,13,14)
InChIKeyMXZDUTSKNGJTQW-UHFFFAOYSA-N
XLogP-0.20
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-amino-2-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116433
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
CID 113494452
5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
CID 107807019
5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
CID 114115545
5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide
CID 113481909
5-amino-2-(4-bromo-2-cyanoanilino)benzenesulfonamide
CID 82692015
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide (CID 83013156) is 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide is CN(C)Nc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide?
The InChIKey is MXZDUTSKNGJTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-12(2)11-7-4-3-6(9)5-8(7)15(10,13)14/h3-5,11H,9H2,1-2H3,(H2,10,13,14).
What are the key properties of 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide?
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide is sourced from PubChem (CID 83013156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).