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

C16H18Cl2N4O2S — CID 67509117

IUPACN-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1
InChIInChI=1S/C16H18Cl2N4O2S/c1-25(23,24)21-12-4-6-22(7-5-12)16-8-13(14(18)10-20-16)15-3-2-11(17)9-19-15/h2-3,8-10,12,21H,4-7H2,1H3
InChIKeyISCHRCZYPHYFNY-UHFFFAOYSA-N
MW401.32 g/mol
LogP2.97
Rot. Bonds4

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

N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67509117) has the molecular formula C16H18Cl2N4O2S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67509117
Molecular FormulaC16H18Cl2N4O2S
Molecular Weight401.32 g/mol
Exact Mass400.05
IUPAC NameN-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1
InChIInChI=1S/C16H18Cl2N4O2S/c1-25(23,24)21-12-4-6-22(7-5-12)16-8-13(14(18)10-20-16)15-3-2-11(17)9-19-15/h2-3,8-10,12,21H,4-7H2,1H3
InChIKeyISCHRCZYPHYFNY-UHFFFAOYSA-N
XLogP2.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 52.97
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-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67509117) is N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1.
What is the InChIKey of N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is ISCHRCZYPHYFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2S/c1-25(23,24)21-12-4-6-22(7-5-12)16-8-13(14(18)10-20-16)15-3-2-11(17)9-19-15/h2-3,8-10,12,21H,4-7H2,1H3.
What are the key properties of N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-chloro-4-(5-chloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 401.32 g/mol, XLogP of 2.97, 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-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67509117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).