[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C24H31FN4O3S — CID 43922439

IUPAC[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCS(=O)(=O)N1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)CC1
InChIInChI=1S/C24H31FN4O3S/c1-2-33(31,32)29-17-11-26(12-18-29)19-20-7-9-21(10-8-20)24(30)28-15-13-27(14-16-28)23-6-4-3-5-22(23)25/h3-10H,2,11-19H2,1H3
InChIKeyKWQZYKAWAQJSDM-UHFFFAOYSA-N
MW474.60 g/mol
LogP2.26
Rot. Bonds6

About [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 43922439) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID43922439
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC Name[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCS(=O)(=O)N1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)CC1
InChIInChI=1S/C24H31FN4O3S/c1-2-33(31,32)29-17-11-26(12-18-29)19-20-7-9-21(10-8-20)24(30)28-15-13-27(14-16-28)23-6-4-3-5-22(23)25/h3-10H,2,11-19H2,1H3
InChIKeyKWQZYKAWAQJSDM-UHFFFAOYSA-N
XLogP2.26
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 43921389
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920571
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
1-[4-[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 46043392
N-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 2471505
(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248
(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 28631992

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 43922439) is [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCS(=O)(=O)N1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)CC1.
What is the InChIKey of [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is KWQZYKAWAQJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-2-33(31,32)29-17-11-26(12-18-29)19-20-7-9-21(10-8-20)24(30)28-15-13-27(14-16-28)23-6-4-3-5-22(23)25/h3-10H,2,11-19H2,1H3.
What are the key properties of [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 474.60 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43922439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).