3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride

C23H25ClF3N5O2S — CID 67367030

IUPAC3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CCN1CCN(c2nccnc2-c2ccc(F)cc2)CC1)S(=O)(=O)c1cc(F)cc(F)c1.Cl
InChIInChI=1S/C23H24F3N5O2S.ClH/c1-29(34(32,33)21-15-19(25)14-20(26)16-21)8-9-30-10-12-31(13-11-30)23-22(27-6-7-28-23)17-2-4-18(24)5-3-17;/h2-7,14-16H,8-13H2,1H3;1H
InChIKeyFVLMVLDCASUXJR-UHFFFAOYSA-N
MW528.00 g/mol
LogP3.43
Rot. Bonds7

About 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride

3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 67367030) has the molecular formula C23H25ClF3N5O2S and a molecular weight of 528.00 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride
PubChem CID67367030
Molecular FormulaC23H25ClF3N5O2S
Molecular Weight528.00 g/mol
Exact Mass527.14
IUPAC Name3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CCN1CCN(c2nccnc2-c2ccc(F)cc2)CC1)S(=O)(=O)c1cc(F)cc(F)c1.Cl
InChIInChI=1S/C23H24F3N5O2S.ClH/c1-29(34(32,33)21-15-19(25)14-20(26)16-21)8-9-30-10-12-31(13-11-30)23-22(27-6-7-28-23)17-2-4-18(24)5-3-17;/h2-7,14-16H,8-13H2,1H3;1H
InChIKeyFVLMVLDCASUXJR-UHFFFAOYSA-N
XLogP3.43
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.00
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride (CID 67367030) is 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride is CN(CCN1CCN(c2nccnc2-c2ccc(F)cc2)CC1)S(=O)(=O)c1cc(F)cc(F)c1.Cl.
What is the InChIKey of 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is FVLMVLDCASUXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2S.ClH/c1-29(34(32,33)21-15-19(25)14-20(26)16-21)8-9-30-10-12-31(13-11-30)23-22(27-6-7-28-23)17-2-4-18(24)5-3-17;/h2-7,14-16H,8-13H2,1H3;1H.
What are the key properties of 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride?
3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 528.00 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 67367030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).