1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene

C8H13N3O2S — CID 114958678

IUPAC1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
SMILESCc1ccc(N)c(NS(N)(=O)=O)c1C
InChIInChI=1S/C8H13N3O2S/c1-5-3-4-7(9)8(6(5)2)11-14(10,12)13/h3-4,11H,9H2,1-2H3,(H2,10,12,13)
InChIKeyZMHHNELQWJCGKB-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.50
Rot. Bonds2

About 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene

1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene (PubChem CID 114958678) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
PubChem CID114958678
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
SMILESCc1ccc(N)c(NS(N)(=O)=O)c1C
InChIInChI=1S/C8H13N3O2S/c1-5-3-4-7(9)8(6(5)2)11-14(10,12)13/h3-4,11H,9H2,1-2H3,(H2,10,12,13)
InChIKeyZMHHNELQWJCGKB-UHFFFAOYSA-N
XLogP0.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
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-3,4-dimethyl-2-(sulfamoylamino)benzene?
The IUPAC name of 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene (CID 114958678) is 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene.
What is the SMILES notation for 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene?
The canonical SMILES for 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene is Cc1ccc(N)c(NS(N)(=O)=O)c1C.
What is the InChIKey of 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene?
The InChIKey is ZMHHNELQWJCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-3-4-7(9)8(6(5)2)11-14(10,12)13/h3-4,11H,9H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene?
1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene has a molecular weight of 215.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene is sourced from PubChem (CID 114958678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).