4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide

C21H24FN3O4S — CID 3609499

IUPAC4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O4S/c22-17-5-3-16(4-6-17)21(26)23-19-15-18(7-8-20(19)24-9-1-2-10-24)30(27,28)25-11-13-29-14-12-25/h3-8,15H,1-2,9-14H2,(H,23,26)
InChIKeySDXJWAQGFRGHQK-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.70
Rot. Bonds5

About 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide

4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 3609499) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID3609499
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O4S/c22-17-5-3-16(4-6-17)21(26)23-19-15-18(7-8-20(19)24-9-1-2-10-24)30(27,28)25-11-13-29-14-12-25/h3-8,15H,1-2,9-14H2,(H,23,26)
InChIKeySDXJWAQGFRGHQK-UHFFFAOYSA-N
XLogP2.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide (CID 3609499) is 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is SDXJWAQGFRGHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c22-17-5-3-16(4-6-17)21(26)23-19-15-18(7-8-20(19)24-9-1-2-10-24)30(27,28)25-11-13-29-14-12-25/h3-8,15H,1-2,9-14H2,(H,23,26).
What are the key properties of 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide?
4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 3609499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).