N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide

C22H28FN7O2S — CID 59252240

IUPACN-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CCN2CCN(c3nccnc3-c3ccccc3F)CC2)cn1C
InChIInChI=1S/C22H28FN7O2S/c1-17-26-20(16-27(17)2)33(31,32)28(3)10-11-29-12-14-30(15-13-29)22-21(24-8-9-25-22)18-6-4-5-7-19(18)23/h4-9,16H,10-15H2,1-3H3
InChIKeyJRTJKOXISYUQIJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide

N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 59252240) has the molecular formula C22H28FN7O2S and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID59252240
Molecular FormulaC22H28FN7O2S
Molecular Weight473.58 g/mol
Exact Mass473.20
IUPAC NameN-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CCN2CCN(c3nccnc3-c3ccccc3F)CC2)cn1C
InChIInChI=1S/C22H28FN7O2S/c1-17-26-20(16-27(17)2)33(31,32)28(3)10-11-29-12-14-30(15-13-29)22-21(24-8-9-25-22)18-6-4-5-7-19(18)23/h4-9,16H,10-15H2,1-3H3
InChIKeyJRTJKOXISYUQIJ-UHFFFAOYSA-N
XLogP1.77
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 59252240) is N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)CCN2CCN(c3nccnc3-c3ccccc3F)CC2)cn1C.
What is the InChIKey of N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is JRTJKOXISYUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7O2S/c1-17-26-20(16-27(17)2)33(31,32)28(3)10-11-29-12-14-30(15-13-29)22-21(24-8-9-25-22)18-6-4-5-7-19(18)23/h4-9,16H,10-15H2,1-3H3.
What are the key properties of N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 473.58 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 59252240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).