1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine

C15H14FN3O3S — CID 68746857

IUPAC1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccoc2)c(-c2ccccc2F)n1
InChIInChI=1S/C15H14FN3O3S/c1-17-8-11-9-19(23(20,21)12-6-7-22-10-12)15(18-11)13-4-2-3-5-14(13)16/h2-7,9-10,17H,8H2,1H3
InChIKeyMQPXEEGMTHIOMW-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine

1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 68746857) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID68746857
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccoc2)c(-c2ccccc2F)n1
InChIInChI=1S/C15H14FN3O3S/c1-17-8-11-9-19(23(20,21)12-6-7-22-10-12)15(18-11)13-4-2-3-5-14(13)16/h2-7,9-10,17H,8H2,1H3
InChIKeyMQPXEEGMTHIOMW-UHFFFAOYSA-N
XLogP2.24
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine (CID 68746857) is 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2ccoc2)c(-c2ccccc2F)n1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is MQPXEEGMTHIOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-17-8-11-9-19(23(20,21)12-6-7-22-10-12)15(18-11)13-4-2-3-5-14(13)16/h2-7,9-10,17H,8H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine?
1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 335.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 68746857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).