4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

C17H16BrFN2O4S — CID 1355709

IUPAC4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16BrFN2O4S/c18-15-6-1-12(17(22)20-14-4-2-13(19)3-5-14)11-16(15)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyAODQVNKKCDMDSX-UHFFFAOYSA-N
MW443.29 g/mol
LogP2.86
Rot. Bonds4

About 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1355709) has the molecular formula C17H16BrFN2O4S and a molecular weight of 443.29 g/mol. Its IUPAC name is 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1355709
Molecular FormulaC17H16BrFN2O4S
Molecular Weight443.29 g/mol
Exact Mass442.00
IUPAC Name4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16BrFN2O4S/c18-15-6-1-12(17(22)20-14-4-2-13(19)3-5-14)11-16(15)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyAODQVNKKCDMDSX-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1355709) is 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AODQVNKKCDMDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O4S/c18-15-6-1-12(17(22)20-14-4-2-13(19)3-5-14)11-16(15)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 443.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-fluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1355709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).