1-amino-3-(dimethylsulfamoylamino)benzene

C8H13N3O2S — CID 556821

IUPAC1-amino-3-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C8H13N3O2S/c1-11(2)14(12,13)10-8-5-3-4-7(9)6-8/h3-6,10H,9H2,1-2H3
InChIKeyVGFFBNNZWLMHDF-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.49
Rot. Bonds3

About 1-amino-3-(dimethylsulfamoylamino)benzene

1-amino-3-(dimethylsulfamoylamino)benzene (PubChem CID 556821) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-amino-3-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-3-(dimethylsulfamoylamino)benzene
PubChem CID556821
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-amino-3-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C8H13N3O2S/c1-11(2)14(12,13)10-8-5-3-4-7(9)6-8/h3-6,10H,9H2,1-2H3
InChIKeyVGFFBNNZWLMHDF-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-amino-3-(dimethylsulfamoylamino)benzene (CID 556821) is 1-amino-3-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-amino-3-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-amino-3-(dimethylsulfamoylamino)benzene is CN(C)S(=O)(=O)Nc1cccc(N)c1.
What is the InChIKey of 1-amino-3-(dimethylsulfamoylamino)benzene?
The InChIKey is VGFFBNNZWLMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11(2)14(12,13)10-8-5-3-4-7(9)6-8/h3-6,10H,9H2,1-2H3.
What are the key properties of 1-amino-3-(dimethylsulfamoylamino)benzene?
1-amino-3-(dimethylsulfamoylamino)benzene has a molecular weight of 215.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 556821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).