(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone

C17H14Br2ClFN2O3S — CID 6735588

IUPAC(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C17H14Br2ClFN2O3S/c18-11-1-4-14(19)16(9-11)27(25,26)23-7-5-22(6-8-23)17(24)13-3-2-12(21)10-15(13)20/h1-4,9-10H,5-8H2
InChIKeyDRRXXFLYMLWQLS-UHFFFAOYSA-N
MW540.64 g/mol
LogP4.15
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 6735588) has the molecular formula C17H14Br2ClFN2O3S and a molecular weight of 540.64 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID6735588
Molecular FormulaC17H14Br2ClFN2O3S
Molecular Weight540.64 g/mol
Exact Mass537.88
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C17H14Br2ClFN2O3S/c18-11-1-4-14(19)16(9-11)27(25,26)23-7-5-22(6-8-23)17(24)13-3-2-12(21)10-15(13)20/h1-4,9-10H,5-8H2
InChIKeyDRRXXFLYMLWQLS-UHFFFAOYSA-N
XLogP4.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.64
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
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(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
4-(2-chloro-4-fluorobenzoyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
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[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 26559299
(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765367
4-(2,5-dibromophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 52865075
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
CID 103882891
4-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511078

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone (CID 6735588) is (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is DRRXXFLYMLWQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2ClFN2O3S/c18-11-1-4-14(19)16(9-11)27(25,26)23-7-5-22(6-8-23)17(24)13-3-2-12(21)10-15(13)20/h1-4,9-10H,5-8H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 540.64 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 6735588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).