1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine

C16H15Cl2FN2O2S — CID 113079298

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C16H15Cl2FN2O2S/c17-15-5-4-14(11-16(15)18)24(22,23)21-8-6-20(7-9-21)13-3-1-2-12(19)10-13/h1-5,10-11H,6-9H2
InChIKeyDSKIQUJGZICVOG-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.64
Rot. Bonds3

About 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine

1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine (PubChem CID 113079298) has the molecular formula C16H15Cl2FN2O2S and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
PubChem CID113079298
Molecular FormulaC16H15Cl2FN2O2S
Molecular Weight389.28 g/mol
Exact Mass388.02
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C16H15Cl2FN2O2S/c17-15-5-4-14(11-16(15)18)24(22,23)21-8-6-20(7-9-21)13-3-1-2-12(19)10-13/h1-5,10-11H,6-9H2
InChIKeyDSKIQUJGZICVOG-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 52897126
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 4179172
1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 26451257
1-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-phenylpiperazine
CID 4215812
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine (CID 113079298) is 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine?
The InChIKey is DSKIQUJGZICVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O2S/c17-15-5-4-14(11-16(15)18)24(22,23)21-8-6-20(7-9-21)13-3-1-2-12(19)10-13/h1-5,10-11H,6-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine has a molecular weight of 389.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine is sourced from PubChem (CID 113079298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).