N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide

C16H18N4O3S — CID 166521432

IUPACN-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C16H18N4O3S/c1-17-9-12-5-6-13(15-4-3-7-23-15)14(8-12)19-24(21,22)16-10-20(2)11-18-16/h3-8,10-11,17,19H,9H2,1-2H3
InChIKeyFVCKOGDVIHPQCB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide

N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 166521432) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID166521432
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C16H18N4O3S/c1-17-9-12-5-6-13(15-4-3-7-23-15)14(8-12)19-24(21,22)16-10-20(2)11-18-16/h3-8,10-11,17,19H,9H2,1-2H3
InChIKeyFVCKOGDVIHPQCB-UHFFFAOYSA-N
XLogP2.20
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide (CID 166521432) is N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide is CNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is FVCKOGDVIHPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-17-9-12-5-6-13(15-4-3-7-23-15)14(8-12)19-24(21,22)16-10-20(2)11-18-16/h3-8,10-11,17,19H,9H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide?
N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 166521432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).