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

C17H17F3N2O2S — CID 3698955

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H17F3N2O2S/c18-14-6-4-13(5-7-14)12-21-8-10-22(11-9-21)25(23,24)17-15(19)2-1-3-16(17)20/h1-7H,8-12H2
InChIKeyIQCWOYRSKXNMPC-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.61
Rot. Bonds4

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

1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 3698955) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID3698955
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H17F3N2O2S/c18-14-6-4-13(5-7-14)12-21-8-10-22(11-9-21)25(23,24)17-15(19)2-1-3-16(17)20/h1-7H,8-12H2
InChIKeyIQCWOYRSKXNMPC-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 3847753
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 110398726
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347
1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine
CID 55831490
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 165435705
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine (CID 3698955) is 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine is O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is IQCWOYRSKXNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-14-6-4-13(5-7-14)12-21-8-10-22(11-9-21)25(23,24)17-15(19)2-1-3-16(17)20/h1-7H,8-12H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 370.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 3698955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).