N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide

C15H16F3N3O3S2 — CID 133489295

IUPACN-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccc(OC(F)(F)F)cn2)CC1)c1cccs1
InChIInChI=1S/C15H16F3N3O3S2/c16-15(17,18)24-12-3-4-13(19-10-12)21-7-5-11(6-8-21)20-26(22,23)14-2-1-9-25-14/h1-4,9-11,20H,5-8H2
InChIKeyJJSKWXGUTBKXIH-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.99
Rot. Bonds5

About N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 133489295) has the molecular formula C15H16F3N3O3S2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID133489295
Molecular FormulaC15H16F3N3O3S2
Molecular Weight407.44 g/mol
Exact Mass407.06
IUPAC NameN-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccc(OC(F)(F)F)cn2)CC1)c1cccs1
InChIInChI=1S/C15H16F3N3O3S2/c16-15(17,18)24-12-3-4-13(19-10-12)21-7-5-11(6-8-21)20-26(22,23)14-2-1-9-25-14/h1-4,9-11,20H,5-8H2
InChIKeyJJSKWXGUTBKXIH-UHFFFAOYSA-N
XLogP2.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122047696
N-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]thiophene-2-sulfonamide
CID 51308992
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133488469
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide
CID 56554229
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 46558306
N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide
CID 91626336
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 133489295) is N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(c2ccc(OC(F)(F)F)cn2)CC1)c1cccs1.
What is the InChIKey of N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is JJSKWXGUTBKXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S2/c16-15(17,18)24-12-3-4-13(19-10-12)21-7-5-11(6-8-21)20-26(22,23)14-2-1-9-25-14/h1-4,9-11,20H,5-8H2.
What are the key properties of N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 407.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 133489295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).