N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide

C15H20F2N2O3S — CID 146171270

IUPACN-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(NS(C)(=O)=O)cc1/C=C/C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+
InChIKeyKJXYCXXAVTYSCU-ONEGZZNKSA-N
MW346.40 g/mol
LogP3.30
Rot. Bonds5

About N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 146171270) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID146171270
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC NameN-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(NS(C)(=O)=O)cc1/C=C/C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+
InChIKeyKJXYCXXAVTYSCU-ONEGZZNKSA-N
XLogP3.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide (CID 146171270) is N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(NS(C)(=O)=O)cc1/C=C/C1CCC(F)(F)CC1.
What is the InChIKey of N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is KJXYCXXAVTYSCU-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+.
What are the key properties of N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 346.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146171270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).