3,4-diamino-N,N-dimethylbenzenesulfonamide

C8H13N3O2S — CID 3116507

IUPAC3,4-diamino-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C8H13N3O2S/c1-11(2)14(12,13)6-3-4-7(9)8(10)5-6/h3-5H,9-10H2,1-2H3
InChIKeyPNUAACMLJDDJGX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.10
Rot. Bonds2

About 3,4-diamino-N,N-dimethylbenzenesulfonamide

3,4-diamino-N,N-dimethylbenzenesulfonamide (PubChem CID 3116507) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3,4-diamino-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-diamino-N,N-dimethylbenzenesulfonamide
PubChem CID3116507
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3,4-diamino-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C8H13N3O2S/c1-11(2)14(12,13)6-3-4-7(9)8(10)5-6/h3-5H,9-10H2,1-2H3
InChIKeyPNUAACMLJDDJGX-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
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 3,4-diamino-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3,4-diamino-N,N-dimethylbenzenesulfonamide (CID 3116507) is 3,4-diamino-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3,4-diamino-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3,4-diamino-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(N)c1.
What is the InChIKey of 3,4-diamino-N,N-dimethylbenzenesulfonamide?
The InChIKey is PNUAACMLJDDJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11(2)14(12,13)6-3-4-7(9)8(10)5-6/h3-5H,9-10H2,1-2H3.
What are the key properties of 3,4-diamino-N,N-dimethylbenzenesulfonamide?
3,4-diamino-N,N-dimethylbenzenesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).