2-amino-4-(dimethylamino)benzenesulfonamide

C8H13N3O2S — CID 79466326

IUPAC2-amino-4-(dimethylamino)benzenesulfonamide
SMILESCN(C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C8H13N3O2S/c1-11(2)6-3-4-8(7(9)5-6)14(10,12)13/h3-5H,9H2,1-2H3,(H2,10,12,13)
InChIKeyARYOWOHVWULIRO-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.02
Rot. Bonds2

About 2-amino-4-(dimethylamino)benzenesulfonamide

2-amino-4-(dimethylamino)benzenesulfonamide (PubChem CID 79466326) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)benzenesulfonamide
PubChem CID79466326
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-amino-4-(dimethylamino)benzenesulfonamide
SMILESCN(C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C8H13N3O2S/c1-11(2)6-3-4-8(7(9)5-6)14(10,12)13/h3-5H,9H2,1-2H3,(H2,10,12,13)
InChIKeyARYOWOHVWULIRO-UHFFFAOYSA-N
XLogP-0.02
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-(dimethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(dimethylamino)benzenesulfonamide (CID 79466326) is 2-amino-4-(dimethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(dimethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(dimethylamino)benzenesulfonamide is CN(C)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(dimethylamino)benzenesulfonamide?
The InChIKey is ARYOWOHVWULIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11(2)6-3-4-8(7(9)5-6)14(10,12)13/h3-5H,9H2,1-2H3,(H2,10,12,13).
What are the key properties of 2-amino-4-(dimethylamino)benzenesulfonamide?
2-amino-4-(dimethylamino)benzenesulfonamide has a molecular weight of 215.28 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)benzenesulfonamide is sourced from PubChem (CID 79466326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).