(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

C17H14BrCl2FN2O3S — CID 26312772

IUPAC(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H14BrCl2FN2O3S/c18-13-10-11(21)4-5-12(13)17(24)22-6-8-23(9-7-22)27(25,26)16-14(19)2-1-3-15(16)20/h1-5,10H,6-9H2
InChIKeyCSQFEJSNHRZQRQ-UHFFFAOYSA-N
MW496.19 g/mol
LogP4.04
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 26312772) has the molecular formula C17H14BrCl2FN2O3S and a molecular weight of 496.19 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID26312772
Molecular FormulaC17H14BrCl2FN2O3S
Molecular Weight496.19 g/mol
Exact Mass493.93
IUPAC Name(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H14BrCl2FN2O3S/c18-13-10-11(21)4-5-12(13)17(24)22-6-8-23(9-7-22)27(25,26)16-14(19)2-1-3-15(16)20/h1-5,10H,6-9H2
InChIKeyCSQFEJSNHRZQRQ-UHFFFAOYSA-N
XLogP4.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33188308
(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone
CID 6735588
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 26559299
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 26312773
(E)-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one
CID 26778338
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2-nitrophenyl)methanone
CID 27757654
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 26312772) is (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is CSQFEJSNHRZQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl2FN2O3S/c18-13-10-11(21)4-5-12(13)17(24)22-6-8-23(9-7-22)27(25,26)16-14(19)2-1-3-15(16)20/h1-5,10H,6-9H2.
What are the key properties of (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 496.19 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 26312772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).