N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

C18H20F3N3O3S — CID 26045740

IUPACN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C18H20F3N3O3S/c1-27-15-3-5-16(6-4-15)28(25,26)24-10-8-14(9-11-24)23-17-7-2-13(12-22-17)18(19,20)21/h2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyPGXQYIHQHXSRAZ-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 26045740) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID26045740
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C18H20F3N3O3S/c1-27-15-3-5-16(6-4-15)28(25,26)24-10-8-14(9-11-24)23-17-7-2-13(12-22-17)18(19,20)21/h2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyPGXQYIHQHXSRAZ-UHFFFAOYSA-N
XLogP3.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 26045740) is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PGXQYIHQHXSRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c1-27-15-3-5-16(6-4-15)28(25,26)24-10-8-14(9-11-24)23-17-7-2-13(12-22-17)18(19,20)21/h2-7,12,14H,8-11H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 415.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 26045740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).