2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan

C19H18FNO5S — CID 154873234

IUPAC2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan
SMILESO=S(=O)(F)Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1
InChIInChI=1S/C19H18FNO5S/c20-27(23,24)26-17-9-7-15(8-10-17)12-21(14-18-5-3-11-25-18)13-16-4-1-2-6-19(16)22/h1-11,22H,12-14H2
InChIKeyBMIXLPCUDGJDDZ-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.78
Rot. Bonds8

About 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan

2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan (PubChem CID 154873234) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan.

Molecular Properties

Compound Name2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan
PubChem CID154873234
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Name2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan
SMILESO=S(=O)(F)Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1
InChIInChI=1S/C19H18FNO5S/c20-27(23,24)26-17-9-7-15(8-10-17)12-21(14-18-5-3-11-25-18)13-16-4-1-2-6-19(16)22/h1-11,22H,12-14H2
InChIKeyBMIXLPCUDGJDDZ-UHFFFAOYSA-N
XLogP3.78
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan?
The IUPAC name of 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan (CID 154873234) is 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan.
What is the SMILES notation for 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan?
The canonical SMILES for 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan is O=S(=O)(F)Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1.
What is the InChIKey of 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan?
The InChIKey is BMIXLPCUDGJDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5S/c20-27(23,24)26-17-9-7-15(8-10-17)12-21(14-18-5-3-11-25-18)13-16-4-1-2-6-19(16)22/h1-11,22H,12-14H2.
What are the key properties of 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan?
2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan has a molecular weight of 391.42 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorosulfonyloxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]methyl]furan is sourced from PubChem (CID 154873234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).