3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide

C13H14N4O2S — CID 114649938

IUPAC3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2cccc2C#N)c(N)c1
InChIInChI=1S/C13H14N4O2S/c1-16(2)20(18,19)11-5-6-13(12(15)8-11)17-7-3-4-10(17)9-14/h3-8H,15H2,1-2H3
InChIKeyGUTVZQVRZDGPLP-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.18
Rot. Bonds3

About 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide

3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 114649938) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID114649938
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2cccc2C#N)c(N)c1
InChIInChI=1S/C13H14N4O2S/c1-16(2)20(18,19)11-5-6-13(12(15)8-11)17-7-3-4-10(17)9-14/h3-8H,15H2,1-2H3
InChIKeyGUTVZQVRZDGPLP-UHFFFAOYSA-N
XLogP1.18
TPSA92.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2-cyanopyrrol-1-yl)-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

Related Compounds

1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile
CID 114649923
3-amino-4-[bis(cyanomethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 43162677
3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide
CID 115944543
3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43372899
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43584159
4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide
CID 82900313
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82899679
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide (CID 114649938) is 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-n2cccc2C#N)c(N)c1.
What is the InChIKey of 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is GUTVZQVRZDGPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-16(2)20(18,19)11-5-6-13(12(15)8-11)17-7-3-4-10(17)9-14/h3-8H,15H2,1-2H3.
What are the key properties of 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 114649938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).