1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine

C21H24FN3O3S — CID 4277694

IUPAC1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine
SMILESO=S(=O)(c1ccc(N2CCCC2)c(/N=C/c2ccc(F)cc2)c1)N1CCOCC1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-3-17(4-6-18)16-23-20-15-19(7-8-21(20)24-9-1-2-10-24)29(26,27)25-11-13-28-14-12-25/h3-8,15-16H,1-2,9-14H2/b23-16+
InChIKeyVNEWMVLZESMKKX-XQNSMLJCSA-N
MW417.51 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine

1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 4277694) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine
PubChem CID4277694
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine
SMILESO=S(=O)(c1ccc(N2CCCC2)c(/N=C/c2ccc(F)cc2)c1)N1CCOCC1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-3-17(4-6-18)16-23-20-15-19(7-8-21(20)24-9-1-2-10-24)29(26,27)25-11-13-28-14-12-25/h3-8,15-16H,1-2,9-14H2/b23-16+
InChIKeyVNEWMVLZESMKKX-XQNSMLJCSA-N
XLogP3.20
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 3487622
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
N-(2,5-difluorophenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 31509173
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine
CID 23763226
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine (CID 4277694) is 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine is O=S(=O)(c1ccc(N2CCCC2)c(/N=C/c2ccc(F)cc2)c1)N1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is VNEWMVLZESMKKX-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-18-5-3-17(4-6-18)16-23-20-15-19(7-8-21(20)24-9-1-2-10-24)29(26,27)25-11-13-28-14-12-25/h3-8,15-16H,1-2,9-14H2/b23-16+.
What are the key properties of 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine?
1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 417.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 4277694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).