N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide

C14H21F3N4O3S — CID 55674149

IUPACN-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O3S/c1-2-9-25(23,24)19-11-3-6-20(7-4-11)13(22)10-21-8-5-12(18-21)14(15,16)17/h5,8,11,19H,2-4,6-7,9-10H2,1H3
InChIKeyPUPCHUOITJWPOP-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.22
Rot. Bonds6

About N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55674149) has the molecular formula C14H21F3N4O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID55674149
Molecular FormulaC14H21F3N4O3S
Molecular Weight382.41 g/mol
Exact Mass382.13
IUPAC NameN-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O3S/c1-2-9-25(23,24)19-11-3-6-20(7-4-11)13(22)10-21-8-5-12(18-21)14(15,16)17/h5,8,11,19H,2-4,6-7,9-10H2,1H3
InChIKeyPUPCHUOITJWPOP-UHFFFAOYSA-N
XLogP1.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide (CID 55674149) is N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is PUPCHUOITJWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O3S/c1-2-9-25(23,24)19-11-3-6-20(7-4-11)13(22)10-21-8-5-12(18-21)14(15,16)17/h5,8,11,19H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 382.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55674149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).