2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H19F4N3O3S — CID 3244408

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F4N3O3S/c20-15-4-6-17(7-5-15)30(28,29)26-10-8-25(9-11-26)13-18(27)24-16-3-1-2-14(12-16)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyWCLHLADCSXMARO-UHFFFAOYSA-N
MW445.44 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3244408) has the molecular formula C19H19F4N3O3S and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3244408
Molecular FormulaC19H19F4N3O3S
Molecular Weight445.44 g/mol
Exact Mass445.11
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F4N3O3S/c20-15-4-6-17(7-5-15)30(28,29)26-10-8-25(9-11-26)13-18(27)24-16-3-1-2-14(12-16)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyWCLHLADCSXMARO-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3244408) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCLHLADCSXMARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O3S/c20-15-4-6-17(7-5-15)30(28,29)26-10-8-25(9-11-26)13-18(27)24-16-3-1-2-14(12-16)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 445.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3244408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).