N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H19F3N4O3S — CID 4879018

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)15-7-10-23(22-15)12-16(25)21-13-5-4-6-14(11-13)28(26,27)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,21,25)
InChIKeyMXNOUNDABQCJIA-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.72
Rot. Bonds5

About N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4879018) has the molecular formula C17H19F3N4O3S and a molecular weight of 416.43 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4879018
Molecular FormulaC17H19F3N4O3S
Molecular Weight416.43 g/mol
Exact Mass416.11
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)15-7-10-23(22-15)12-16(25)21-13-5-4-6-14(11-13)28(26,27)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,21,25)
InChIKeyMXNOUNDABQCJIA-UHFFFAOYSA-N
XLogP2.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4879018) is N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is MXNOUNDABQCJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3S/c18-17(19,20)15-7-10-23(22-15)12-16(25)21-13-5-4-6-14(11-13)28(26,27)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,21,25).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 416.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4879018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).