[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone

C17H14Cl2F2N2O3S — CID 2810130

IUPAC[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H14Cl2F2N2O3S/c18-11-7-12(19)9-14(8-11)27(25,26)23-5-3-22(4-6-23)17(24)15-2-1-13(20)10-16(15)21/h1-2,7-10H,3-6H2
InChIKeyWQZBKYSTJQAJBR-UHFFFAOYSA-N
MW435.28 g/mol
LogP3.42
Rot. Bonds3

About [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone

[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 2810130) has the molecular formula C17H14Cl2F2N2O3S and a molecular weight of 435.28 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID2810130
Molecular FormulaC17H14Cl2F2N2O3S
Molecular Weight435.28 g/mol
Exact Mass434.01
IUPAC Name[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H14Cl2F2N2O3S/c18-11-7-12(19)9-14(8-11)27(25,26)23-5-3-22(4-6-23)17(24)15-2-1-13(20)10-16(15)21/h1-2,7-10H,3-6H2
InChIKeyWQZBKYSTJQAJBR-UHFFFAOYSA-N
XLogP3.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone (CID 2810130) is [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is WQZBKYSTJQAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O3S/c18-11-7-12(19)9-14(8-11)27(25,26)23-5-3-22(4-6-23)17(24)15-2-1-13(20)10-16(15)21/h1-2,7-10H,3-6H2.
What are the key properties of [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 435.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 2810130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).