2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine

C14H21F2N3O2S — CID 6737006

IUPAC2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3O2S/c1-17(2)5-6-18-7-9-19(10-8-18)22(20,21)14-4-3-12(15)11-13(14)16/h3-4,11H,5-10H2,1-2H3
InChIKeyFDVGGXDRMNWAPV-UHFFFAOYSA-N
MW333.40 g/mol
LogP0.83
Rot. Bonds5

About 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 6737006) has the molecular formula C14H21F2N3O2S and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
PubChem CID6737006
Molecular FormulaC14H21F2N3O2S
Molecular Weight333.40 g/mol
Exact Mass333.13
IUPAC Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3O2S/c1-17(2)5-6-18-7-9-19(10-8-18)22(20,21)14-4-3-12(15)11-13(14)16/h3-4,11H,5-10H2,1-2H3
InChIKeyFDVGGXDRMNWAPV-UHFFFAOYSA-N
XLogP0.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine (CID 6737006) is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is FDVGGXDRMNWAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O2S/c1-17(2)5-6-18-7-9-19(10-8-18)22(20,21)14-4-3-12(15)11-13(14)16/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 333.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 6737006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).