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

C19H26F3N3O3S — CID 17493732

IUPACN-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC1CCCCC1
InChIInChI=1S/C19H26F3N3O3S/c20-19(21,22)16-8-4-5-9-17(16)29(27,28)25-12-10-24(11-13-25)14-18(26)23-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,23,26)
InChIKeyQNRJQOAJPHEMQN-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.46
Rot. Bonds5

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

N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 17493732) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID17493732
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC NameN-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC1CCCCC1
InChIInChI=1S/C19H26F3N3O3S/c20-19(21,22)16-8-4-5-9-17(16)29(27,28)25-12-10-24(11-13-25)14-18(26)23-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,23,26)
InChIKeyQNRJQOAJPHEMQN-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 17493732) is N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is QNRJQOAJPHEMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3S/c20-19(21,22)16-8-4-5-9-17(16)29(27,28)25-12-10-24(11-13-25)14-18(26)23-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,23,26).
What are the key properties of N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 433.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 17493732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).