N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C16H17Cl2FN4O2S — CID 67508217

IUPACN-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1
InChIInChI=1S/C16H17Cl2FN4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(13(18)9-20-15)16-14(19)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3
InChIKeyZAENCGYBFUHRRQ-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.11
Rot. Bonds4

About N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67508217) has the molecular formula C16H17Cl2FN4O2S and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67508217
Molecular FormulaC16H17Cl2FN4O2S
Molecular Weight419.31 g/mol
Exact Mass418.04
IUPAC NameN-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1
InChIInChI=1S/C16H17Cl2FN4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(13(18)9-20-15)16-14(19)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3
InChIKeyZAENCGYBFUHRRQ-UHFFFAOYSA-N
XLogP3.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.11
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-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67508217) is N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1.
What is the InChIKey of N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is ZAENCGYBFUHRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(13(18)9-20-15)16-14(19)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3.
What are the key properties of N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-chloro-4-(5-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 419.31 g/mol, XLogP of 3.11, 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-chloro-3-fluoro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67508217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).