N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C19H20FN3O6S — CID 3656138

IUPACN-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20FN3O6S/c20-15-4-7-17(18(13-15)23(25)26)21-19(24)8-3-14-1-5-16(6-2-14)30(27,28)22-9-11-29-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,24)
InChIKeyFFAXJIPTYQVRRQ-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.33
Rot. Bonds7

About N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 3656138) has the molecular formula C19H20FN3O6S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID3656138
Molecular FormulaC19H20FN3O6S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC NameN-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20FN3O6S/c20-15-4-7-17(18(13-15)23(25)26)21-19(24)8-3-14-1-5-16(6-2-14)30(27,28)22-9-11-29-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,24)
InChIKeyFFAXJIPTYQVRRQ-UHFFFAOYSA-N
XLogP2.33
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 3656138) is N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is FFAXJIPTYQVRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O6S/c20-15-4-7-17(18(13-15)23(25)26)21-19(24)8-3-14-1-5-16(6-2-14)30(27,28)22-9-11-29-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,24).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 437.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 3656138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).