[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone

C23H21F2N3O4S — CID 55997871

IUPAC[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
SMILESO=C(c1ccnc(OCc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H21F2N3O4S/c24-19-6-7-21(20(25)15-19)33(30,31)28-12-10-27(11-13-28)23(29)18-8-9-26-22(14-18)32-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2
InChIKeyXZTITYVUUFHLLP-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.09
Rot. Bonds6

About [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone (PubChem CID 55997871) has the molecular formula C23H21F2N3O4S and a molecular weight of 473.50 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
PubChem CID55997871
Molecular FormulaC23H21F2N3O4S
Molecular Weight473.50 g/mol
Exact Mass473.12
IUPAC Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
SMILESO=C(c1ccnc(OCc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H21F2N3O4S/c24-19-6-7-21(20(25)15-19)33(30,31)28-12-10-27(11-13-28)23(29)18-8-9-26-22(14-18)32-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2
InChIKeyXZTITYVUUFHLLP-UHFFFAOYSA-N
XLogP3.09
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone?
The IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone (CID 55997871) is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone is O=C(c1ccnc(OCc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone?
The InChIKey is XZTITYVUUFHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O4S/c24-19-6-7-21(20(25)15-19)33(30,31)28-12-10-27(11-13-28)23(29)18-8-9-26-22(14-18)32-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2.
What are the key properties of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone?
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone has a molecular weight of 473.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone is sourced from PubChem (CID 55997871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).