4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide

C10H10N4O2S — CID 21495861

IUPAC4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C#N)c(N)cc1C#N
InChIInChI=1S/C10H10N4O2S/c1-14(2)17(15,16)10-4-7(5-11)9(13)3-8(10)6-12/h3-4H,13H2,1-2H3
InChIKeyRDHXXHVULPDXKH-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.26
Rot. Bonds2

About 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide

4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide (PubChem CID 21495861) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide
PubChem CID21495861
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C#N)c(N)cc1C#N
InChIInChI=1S/C10H10N4O2S/c1-14(2)17(15,16)10-4-7(5-11)9(13)3-8(10)6-12/h3-4H,13H2,1-2H3
InChIKeyRDHXXHVULPDXKH-UHFFFAOYSA-N
XLogP0.26
TPSA110.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide (CID 21495861) is 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(C#N)c(N)cc1C#N.
What is the InChIKey of 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide?
The InChIKey is RDHXXHVULPDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-14(2)17(15,16)10-4-7(5-11)9(13)3-8(10)6-12/h3-4H,13H2,1-2H3.
What are the key properties of 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide?
4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-dicyano-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 21495861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).