1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine

C19H21ClF2N2O2S — CID 112804278

IUPAC1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine
SMILESO=S(=O)(c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1)C(F)F
InChIInChI=1S/C19H21ClF2N2O2S/c20-17-5-1-15(2-6-17)13-23-9-11-24(12-10-23)14-16-3-7-18(8-4-16)27(25,26)19(21)22/h1-8,19H,9-14H2
InChIKeyWSJGOBFGPAGSDH-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.65
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine (PubChem CID 112804278) has the molecular formula C19H21ClF2N2O2S and a molecular weight of 414.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine
PubChem CID112804278
Molecular FormulaC19H21ClF2N2O2S
Molecular Weight414.91 g/mol
Exact Mass414.10
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine
SMILESO=S(=O)(c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1)C(F)F
InChIInChI=1S/C19H21ClF2N2O2S/c20-17-5-1-15(2-6-17)13-23-9-11-24(12-10-23)14-16-3-7-18(8-4-16)27(25,26)19(21)22/h1-8,19H,9-14H2
InChIKeyWSJGOBFGPAGSDH-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774951
4-(difluoromethylsulfonyl)-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78829467
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
4-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096857
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine;oxalic acid
CID 2901979
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
CID 23114800
1-[[4-benzyl-5-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]piperidine
CID 112806549

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine (CID 112804278) is 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine is O=S(=O)(c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1)C(F)F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine?
The InChIKey is WSJGOBFGPAGSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N2O2S/c20-17-5-1-15(2-6-17)13-23-9-11-24(12-10-23)14-16-3-7-18(8-4-16)27(25,26)19(21)22/h1-8,19H,9-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine has a molecular weight of 414.91 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine is sourced from PubChem (CID 112804278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).