4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide

C16H17N3O3S — CID 56875262

IUPAC4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nccn2CCc2ccco2)cc1
InChIInChI=1S/C16H17N3O3S/c1-17-23(20,21)15-6-4-13(5-7-15)16-18-9-11-19(16)10-8-14-3-2-12-22-14/h2-7,9,11-12,17H,8,10H2,1H3
InChIKeySFLSAWUFILFVSU-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.29
Rot. Bonds6

About 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide

4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide (PubChem CID 56875262) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide
PubChem CID56875262
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nccn2CCc2ccco2)cc1
InChIInChI=1S/C16H17N3O3S/c1-17-23(20,21)15-6-4-13(5-7-15)16-18-9-11-19(16)10-8-14-3-2-12-22-14/h2-7,9,11-12,17H,8,10H2,1H3
InChIKeySFLSAWUFILFVSU-UHFFFAOYSA-N
XLogP2.29
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)ethyl]-2-(4-pyrazol-1-ylphenyl)imidazole
CID 56879404
4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole
CID 155911948
2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 169417860
4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-N-methylbenzenesulfonamide
CID 56874308
5-ethyl-2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 56867577
1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole
CID 165425245
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
CID 56871314
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine
CID 142640348
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide (CID 56875262) is 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2nccn2CCc2ccco2)cc1.
What is the InChIKey of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide?
The InChIKey is SFLSAWUFILFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-17-23(20,21)15-6-4-13(5-7-15)16-18-9-11-19(16)10-8-14-3-2-12-22-14/h2-7,9,11-12,17H,8,10H2,1H3.
What are the key properties of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide?
4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 56875262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).