2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide

C19H17FN2O5S — CID 24602773

IUPAC2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
SMILESO=C(c1oc2ccccc2c1NS(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C19H17FN2O5S/c20-14-6-2-4-8-16(14)28(24,25)21-17-13-5-1-3-7-15(13)27-18(17)19(23)22-9-11-26-12-10-22/h1-8,21H,9-12H2
InChIKeyQYPFGZNGSOAUJG-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.85
Rot. Bonds4

About 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide

2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide (PubChem CID 24602773) has the molecular formula C19H17FN2O5S and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
PubChem CID24602773
Molecular FormulaC19H17FN2O5S
Molecular Weight404.42 g/mol
Exact Mass404.08
IUPAC Name2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
SMILESO=C(c1oc2ccccc2c1NS(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C19H17FN2O5S/c20-14-6-2-4-8-16(14)28(24,25)21-17-13-5-1-3-7-15(13)27-18(17)19(23)22-9-11-26-12-10-22/h1-8,21H,9-12H2
InChIKeyQYPFGZNGSOAUJG-UHFFFAOYSA-N
XLogP2.85
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 24574556
4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 16579759
4-ethyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 25419042
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
3-[(2,6-difluorophenyl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842684
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
CID 51457035

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide (CID 24602773) is 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide is O=C(c1oc2ccccc2c1NS(=O)(=O)c1ccccc1F)N1CCOCC1.
What is the InChIKey of 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
The InChIKey is QYPFGZNGSOAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5S/c20-14-6-2-4-8-16(14)28(24,25)21-17-13-5-1-3-7-15(13)27-18(17)19(23)22-9-11-26-12-10-22/h1-8,21H,9-12H2.
What are the key properties of 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide has a molecular weight of 404.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide is sourced from PubChem (CID 24602773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).