[2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone

C19H22FN3O5S — CID 55564425

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O5S/c20-15-3-1-14(2-4-15)18-13-22(5-10-28-18)19(24)17-11-16(12-21-17)29(25,26)23-6-8-27-9-7-23/h1-4,11-12,18,21H,5-10,13H2
InChIKeyNETFAFXESVGZFA-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.39
Rot. Bonds4

About [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone (PubChem CID 55564425) has the molecular formula C19H22FN3O5S and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone
PubChem CID55564425
Molecular FormulaC19H22FN3O5S
Molecular Weight423.47 g/mol
Exact Mass423.13
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O5S/c20-15-3-1-14(2-4-15)18-13-22(5-10-28-18)19(24)17-11-16(12-21-17)29(25,26)23-6-8-27-9-7-23/h1-4,11-12,18,21H,5-10,13H2
InChIKeyNETFAFXESVGZFA-UHFFFAOYSA-N
XLogP1.39
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone (CID 55564425) is [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone is O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The InChIKey is NETFAFXESVGZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S/c20-15-3-1-14(2-4-15)18-13-22(5-10-28-18)19(24)17-11-16(12-21-17)29(25,26)23-6-8-27-9-7-23/h1-4,11-12,18,21H,5-10,13H2.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone has a molecular weight of 423.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 55564425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).