3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide

C16H17N3O3S — CID 67595359

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C16H17N3O3S/c20-23(21,19-13-5-2-1-3-6-13)15-8-4-7-14(11-15)22-12-16-17-9-10-18-16/h1-8,11,19H,9-10,12H2,(H,17,18)
InChIKeyVTKSHLUFRILHOC-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.87
Rot. Bonds6

About 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide

3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide (PubChem CID 67595359) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide
PubChem CID67595359
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C16H17N3O3S/c20-23(21,19-13-5-2-1-3-6-13)15-8-4-7-14(11-15)22-12-16-17-9-10-18-16/h1-8,11,19H,9-10,12H2,(H,17,18)
InChIKeyVTKSHLUFRILHOC-UHFFFAOYSA-N
XLogP1.87
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide (CID 67595359) is 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cccc(OCC2=NCCN2)c1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide?
The InChIKey is VTKSHLUFRILHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-23(21,19-13-5-2-1-3-6-13)15-8-4-7-14(11-15)22-12-16-17-9-10-18-16/h1-8,11,19H,9-10,12H2,(H,17,18).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide?
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 67595359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).