(2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone

C24H29F2N3O3S — CID 46509250

IUPAC(2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccn(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)/c(=N/C2CCCCC2)c1
InChIInChI=1S/C24H29F2N3O3S/c1-17-9-14-29(23(15-17)27-20-5-3-2-4-6-20)24(30)18-10-12-28(13-11-18)33(31,32)22-16-19(25)7-8-21(22)26/h7-9,14-16,18,20H,2-6,10-13H2,1H3/b27-23+
InChIKeyZSXPNLHZVSCDMF-SLEBQGDGSA-N
MW477.58 g/mol
LogP4.05
Rot. Bonds4

About (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone

(2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 46509250) has the molecular formula C24H29F2N3O3S and a molecular weight of 477.58 g/mol. Its IUPAC name is (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID46509250
Molecular FormulaC24H29F2N3O3S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccn(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)/c(=N/C2CCCCC2)c1
InChIInChI=1S/C24H29F2N3O3S/c1-17-9-14-29(23(15-17)27-20-5-3-2-4-6-20)24(30)18-10-12-28(13-11-18)33(31,32)22-16-19(25)7-8-21(22)26/h7-9,14-16,18,20H,2-6,10-13H2,1H3/b27-23+
InChIKeyZSXPNLHZVSCDMF-SLEBQGDGSA-N
XLogP4.05
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone (CID 46509250) is (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone is Cc1ccn(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)/c(=N/C2CCCCC2)c1.
What is the InChIKey of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is ZSXPNLHZVSCDMF-SLEBQGDGSA-N. The full InChI is InChI=1S/C24H29F2N3O3S/c1-17-9-14-29(23(15-17)27-20-5-3-2-4-6-20)24(30)18-10-12-28(13-11-18)33(31,32)22-16-19(25)7-8-21(22)26/h7-9,14-16,18,20H,2-6,10-13H2,1H3/b27-23+.
What are the key properties of (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
(2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 477.58 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-4-methyl-1-pyridinyl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 46509250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).