N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C17H18ClF3N4O2S — CID 67515004

IUPACN-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1
InChIInChI=1S/C17H18ClF3N4O2S/c1-28(26,27)24-12-4-6-25(7-5-12)16-8-13(14(18)10-23-16)15-3-2-11(9-22-15)17(19,20)21/h2-3,8-10,12,24H,4-7H2,1H3
InChIKeyXIYMYBJMZYKIQW-UHFFFAOYSA-N
MW434.87 g/mol
LogP3.33
Rot. Bonds4

About N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67515004) has the molecular formula C17H18ClF3N4O2S and a molecular weight of 434.87 g/mol. Its IUPAC name is N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67515004
Molecular FormulaC17H18ClF3N4O2S
Molecular Weight434.87 g/mol
Exact Mass434.08
IUPAC NameN-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1
InChIInChI=1S/C17H18ClF3N4O2S/c1-28(26,27)24-12-4-6-25(7-5-12)16-8-13(14(18)10-23-16)15-3-2-11(9-22-15)17(19,20)21/h2-3,8-10,12,24H,4-7H2,1H3
InChIKeyXIYMYBJMZYKIQW-UHFFFAOYSA-N
XLogP3.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67515004) is N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1.
What is the InChIKey of N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is XIYMYBJMZYKIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O2S/c1-28(26,27)24-12-4-6-25(7-5-12)16-8-13(14(18)10-23-16)15-3-2-11(9-22-15)17(19,20)21/h2-3,8-10,12,24H,4-7H2,1H3.
What are the key properties of N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 434.87 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67515004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).