4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide

C13H14N4O2S — CID 3054834

IUPAC4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide
SMILESC=C=Cn1c(C)cnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H14N4O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-9H,1,14H2,2H3,(H,15,16)
InChIKeyNYDAMWQCZZKXAJ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.83
Rot. Bonds4

About 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide

4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide (PubChem CID 3054834) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide
PubChem CID3054834
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide
SMILESC=C=Cn1c(C)cnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H14N4O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-9H,1,14H2,2H3,(H,15,16)
InChIKeyNYDAMWQCZZKXAJ-UHFFFAOYSA-N
XLogP1.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide (CID 3054834) is 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide is C=C=Cn1c(C)cnc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide?
The InChIKey is NYDAMWQCZZKXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-9H,1,14H2,2H3,(H,15,16).
What are the key properties of 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide?
4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3054834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).