(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone

C23H23F3N2O5S — CID 55964769

IUPAC(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1
InChIInChI=1S/C23H23F3N2O5S/c24-16-1-3-20(25)18(13-16)22(29)15-5-7-27(8-6-15)23(30)19-14-17(2-4-21(19)26)34(31,32)28-9-11-33-12-10-28/h1-4,13-15H,5-12H2
InChIKeyYZTDCSWJBGPTHP-UHFFFAOYSA-N
MW496.51 g/mol
LogP2.86
Rot. Bonds5

About (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone

(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone (PubChem CID 55964769) has the molecular formula C23H23F3N2O5S and a molecular weight of 496.51 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
PubChem CID55964769
Molecular FormulaC23H23F3N2O5S
Molecular Weight496.51 g/mol
Exact Mass496.13
IUPAC Name(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1
InChIInChI=1S/C23H23F3N2O5S/c24-16-1-3-20(25)18(13-16)22(29)15-5-7-27(8-6-15)23(30)19-14-17(2-4-21(19)26)34(31,32)28-9-11-33-12-10-28/h1-4,13-15H,5-12H2
InChIKeyYZTDCSWJBGPTHP-UHFFFAOYSA-N
XLogP2.86
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804
(2,5-difluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30485284
tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
CID 55973425
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
CID 55612788
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
CID 51082686
(2,5-difluorophenyl)-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 71889854
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 55929411
4-[4-(2,5-difluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27330153
4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511454
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone (CID 55964769) is (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone is O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is YZTDCSWJBGPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O5S/c24-16-1-3-20(25)18(13-16)22(29)15-5-7-27(8-6-15)23(30)19-14-17(2-4-21(19)26)34(31,32)28-9-11-33-12-10-28/h1-4,13-15H,5-12H2.
What are the key properties of (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone?
(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 496.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55964769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).