(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C22H25ClFN3O3S — CID 2530553

IUPAC(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H25ClFN3O3S/c23-19-9-8-17(31(29,30)27-10-4-1-5-11-27)16-18(19)22(28)26-14-12-25(13-15-26)21-7-3-2-6-20(21)24/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyRRPIQRZYLNLGNV-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.62
Rot. Bonds4

About (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2530553) has the molecular formula C22H25ClFN3O3S and a molecular weight of 465.98 g/mol. Its IUPAC name is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2530553
Molecular FormulaC22H25ClFN3O3S
Molecular Weight465.98 g/mol
Exact Mass465.13
IUPAC Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H25ClFN3O3S/c23-19-9-8-17(31(29,30)27-10-4-1-5-11-27)16-18(19)22(28)26-14-12-25(13-15-26)21-7-3-2-6-20(21)24/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyRRPIQRZYLNLGNV-UHFFFAOYSA-N
XLogP3.62
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28590852
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 26590808
(2-fluorophenyl)-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methanone
CID 24652838
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
[4-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55880293
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2059106
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769687

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 2530553) is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is RRPIQRZYLNLGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3S/c23-19-9-8-17(31(29,30)27-10-4-1-5-11-27)16-18(19)22(28)26-14-12-25(13-15-26)21-7-3-2-6-20(21)24/h2-3,6-9,16H,1,4-5,10-15H2.
What are the key properties of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 465.98 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2530553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).