3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide

C17H18FN3O4S — CID 71797278

IUPAC3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1F
InChIInChI=1S/C17H18FN3O4S/c1-21-11-14(16-4-3-9-25-16)20-17(21)7-8-19-26(22,23)12-5-6-15(24-2)13(18)10-12/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyHRSAFVPOKPKYDU-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.35
Rot. Bonds7

About 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide

3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 71797278) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide
PubChem CID71797278
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1F
InChIInChI=1S/C17H18FN3O4S/c1-21-11-14(16-4-3-9-25-16)20-17(21)7-8-19-26(22,23)12-5-6-15(24-2)13(18)10-12/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyHRSAFVPOKPKYDU-UHFFFAOYSA-N
XLogP2.35
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71797281
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 91625585
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122278206
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
3-fluoro-4-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890284
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 81438347
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
3-fluoro-4-methoxy-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 92680028

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide (CID 71797278) is 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1F.
What is the InChIKey of 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is HRSAFVPOKPKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-21-11-14(16-4-3-9-25-16)20-17(21)7-8-19-26(22,23)12-5-6-15(24-2)13(18)10-12/h3-6,9-11,19H,7-8H2,1-2H3.
What are the key properties of 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide?
3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71797278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).