N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide

C14H17F2N3O2S — CID 164630255

IUPACN-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide
SMILESN#Cc1cncc(CNS(=O)(=O)C[C@H]2CCCC(F)(F)C2)c1
InChIInChI=1S/C14H17F2N3O2S/c15-14(16)3-1-2-11(5-14)10-22(20,21)19-9-13-4-12(6-17)7-18-8-13/h4,7-8,11,19H,1-3,5,9-10H2/t11-/m0/s1
InChIKeyBJEZEDSLGMVRHG-NSHDSACASA-N
MW329.37 g/mol
LogP2.20
Rot. Bonds5

About N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide

N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide (PubChem CID 164630255) has the molecular formula C14H17F2N3O2S and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide
PubChem CID164630255
Molecular FormulaC14H17F2N3O2S
Molecular Weight329.37 g/mol
Exact Mass329.10
IUPAC NameN-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide
SMILESN#Cc1cncc(CNS(=O)(=O)C[C@H]2CCCC(F)(F)C2)c1
InChIInChI=1S/C14H17F2N3O2S/c15-14(16)3-1-2-11(5-14)10-22(20,21)19-9-13-4-12(6-17)7-18-8-13/h4,7-8,11,19H,1-3,5,9-10H2/t11-/m0/s1
InChIKeyBJEZEDSLGMVRHG-NSHDSACASA-N
XLogP2.20
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide?
The IUPAC name of N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide (CID 164630255) is N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide is N#Cc1cncc(CNS(=O)(=O)C[C@H]2CCCC(F)(F)C2)c1.
What is the InChIKey of N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide?
The InChIKey is BJEZEDSLGMVRHG-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F2N3O2S/c15-14(16)3-1-2-11(5-14)10-22(20,21)19-9-13-4-12(6-17)7-18-8-13/h4,7-8,11,19H,1-3,5,9-10H2/t11-/m0/s1.
What are the key properties of N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide?
N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide has a molecular weight of 329.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide is sourced from PubChem (CID 164630255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).