1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine

C17H17Cl2FN2O2S — CID 9443809

IUPAC1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H17Cl2FN2O2S/c18-15-5-2-6-16(19)17(15)25(23,24)22-9-7-21(8-10-22)12-13-3-1-4-14(20)11-13/h1-6,11H,7-10,12H2
InChIKeyQNXWHDASEYNWBC-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine

1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 9443809) has the molecular formula C17H17Cl2FN2O2S and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID9443809
Molecular FormulaC17H17Cl2FN2O2S
Molecular Weight403.31 g/mol
Exact Mass402.04
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H17Cl2FN2O2S/c18-15-5-2-6-16(19)17(15)25(23,24)22-9-7-21(8-10-22)12-13-3-1-4-14(20)11-13/h1-6,11H,7-10,12H2
InChIKeyQNXWHDASEYNWBC-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829
1-[(6-chloro-3-pyridinyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 31035968
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine (CID 9443809) is 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine is O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is QNXWHDASEYNWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2S/c18-15-5-2-6-16(19)17(15)25(23,24)22-9-7-21(8-10-22)12-13-3-1-4-14(20)11-13/h1-6,11H,7-10,12H2.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine?
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 403.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 9443809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).