4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

C18H15FN2O4S — CID 984669

IUPAC4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H15FN2O4S/c19-14-3-1-5-17(11-14)26(23,24)21-15-8-6-13(7-9-15)18(22)20-12-16-4-2-10-25-16/h1-11,21H,12H2,(H,20,22)
InChIKeyLKOVHXXEHMZWAG-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.15
Rot. Bonds6

About 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 984669) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID984669
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H15FN2O4S/c19-14-3-1-5-17(11-14)26(23,24)21-15-8-6-13(7-9-15)18(22)20-12-16-4-2-10-25-16/h1-11,21H,12H2,(H,20,22)
InChIKeyLKOVHXXEHMZWAG-UHFFFAOYSA-N
XLogP3.15
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (CID 984669) is 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LKOVHXXEHMZWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-14-3-1-5-17(11-14)26(23,24)21-15-8-6-13(7-9-15)18(22)20-12-16-4-2-10-25-16/h1-11,21H,12H2,(H,20,22).
What are the key properties of 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 374.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 984669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).