[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

C17H16F2N2O3S — CID 2225542

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H16F2N2O3S/c18-14-7-4-8-15(19)16(14)17(22)20-9-11-21(12-10-20)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyYFEPLHFLCXKBMC-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.11
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 2225542) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID2225542
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H16F2N2O3S/c18-14-7-4-8-15(19)16(14)17(22)20-9-11-21(12-10-20)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyYFEPLHFLCXKBMC-UHFFFAOYSA-N
XLogP2.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4249772
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467
(2-chloro-6-fluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38167847
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 36928658
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
CID 115678904
[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 27509864
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (CID 2225542) is [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is YFEPLHFLCXKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-14-7-4-8-15(19)16(14)17(22)20-9-11-21(12-10-20)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 366.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 2225542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).