[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone

C17H16BrFN2O3S — CID 4207020

IUPAC[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H16BrFN2O3S/c18-13-5-7-14(8-6-13)25(23,24)21-11-9-20(10-12-21)17(22)15-3-1-2-4-16(15)19/h1-8H,9-12H2
InChIKeyRUSDEGFQTCVSCN-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.73
Rot. Bonds3

About [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 4207020) has the molecular formula C17H16BrFN2O3S and a molecular weight of 427.30 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID4207020
Molecular FormulaC17H16BrFN2O3S
Molecular Weight427.30 g/mol
Exact Mass426.00
IUPAC Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H16BrFN2O3S/c18-13-5-7-14(8-6-13)25(23,24)21-11-9-20(10-12-21)17(22)15-3-1-2-4-16(15)19/h1-8H,9-12H2
InChIKeyRUSDEGFQTCVSCN-UHFFFAOYSA-N
XLogP2.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone (CID 4207020) is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is RUSDEGFQTCVSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3S/c18-13-5-7-14(8-6-13)25(23,24)21-11-9-20(10-12-21)17(22)15-3-1-2-4-16(15)19/h1-8H,9-12H2.
What are the key properties of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 427.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 4207020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).