4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

C19H23F2N3O2S — CID 35315029

IUPAC4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23F2N3O2S/c1-22(2)27(25,26)24-13-11-23(12-14-24)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,11-14H2,1-2H3
InChIKeyFEBPNYNMEHDRGU-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.48
Rot. Bonds5

About 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 35315029) has the molecular formula C19H23F2N3O2S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID35315029
Molecular FormulaC19H23F2N3O2S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23F2N3O2S/c1-22(2)27(25,26)24-13-11-23(12-14-24)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,11-14H2,1-2H3
InChIKeyFEBPNYNMEHDRGU-UHFFFAOYSA-N
XLogP2.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 55615509
1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 42950771
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 36850979
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
CID 92772065
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
(2R)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-phenylacetamide
CID 34787872
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110350392
(E)-3-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]prop-2-enoic acid
CID 45299655
1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 92772560
1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 107520960
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 35315029) is 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is FEBPNYNMEHDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2S/c1-22(2)27(25,26)24-13-11-23(12-14-24)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 35315029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).