1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine

C18H16FNO3S — CID 68922779

IUPAC1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)c(-c2ccccc2F)o1
InChIInChI=1S/C18H16FNO3S/c1-20-12-13-11-17(24(21,22)14-7-3-2-4-8-14)18(23-13)15-9-5-6-10-16(15)19/h2-11,20H,12H2,1H3
InChIKeyWKJBZUBUJNDVSI-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.64
Rot. Bonds5

About 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine

1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 68922779) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine
PubChem CID68922779
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)c(-c2ccccc2F)o1
InChIInChI=1S/C18H16FNO3S/c1-20-12-13-11-17(24(21,22)14-7-3-2-4-8-14)18(23-13)15-9-5-6-10-16(15)19/h2-11,20H,12H2,1H3
InChIKeyWKJBZUBUJNDVSI-UHFFFAOYSA-N
XLogP3.64
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine (CID 68922779) is 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2ccccc2)c(-c2ccccc2F)o1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is WKJBZUBUJNDVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-20-12-13-11-17(24(21,22)14-7-3-2-4-8-14)18(23-13)15-9-5-6-10-16(15)19/h2-11,20H,12H2,1H3.
What are the key properties of 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 345.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-5-(2-fluorophenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 68922779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).