2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide

C9H11N3O2S — CID 70538320

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=NCCN1
InChIInChI=1S/C9H11N3O2S/c10-15(13,14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)(H2,10,13,14)
InChIKeyOMDWGEVLIPNWAF-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.32
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide

2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 70538320) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide
PubChem CID70538320
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=NCCN1
InChIInChI=1S/C9H11N3O2S/c10-15(13,14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)(H2,10,13,14)
InChIKeyOMDWGEVLIPNWAF-UHFFFAOYSA-N
XLogP-0.32
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide (CID 70538320) is 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is OMDWGEVLIPNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c10-15(13,14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)(H2,10,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide?
2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 225.27 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70538320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).