4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide

C11H14N4O2S2 — CID 11185616

IUPAC4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(Sc2cccc(N)c2)c1
InChIInChI=1S/C11H14N4O2S2/c1-14(2)19(16,17)15-7-11(13-8-15)18-10-5-3-4-9(12)6-10/h3-8H,12H2,1-2H3
InChIKeyDWZXNQNEFXMLFK-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.27
Rot. Bonds4

About 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide

4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 11185616) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide
PubChem CID11185616
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(Sc2cccc(N)c2)c1
InChIInChI=1S/C11H14N4O2S2/c1-14(2)19(16,17)15-7-11(13-8-15)18-10-5-3-4-9(12)6-10/h3-8H,12H2,1-2H3
InChIKeyDWZXNQNEFXMLFK-UHFFFAOYSA-N
XLogP1.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide (CID 11185616) is 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(Sc2cccc(N)c2)c1.
What is the InChIKey of 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is DWZXNQNEFXMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-14(2)19(16,17)15-7-11(13-8-15)18-10-5-3-4-9(12)6-10/h3-8H,12H2,1-2H3.
What are the key properties of 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide?
4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)sulfanyl-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 11185616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).