N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide

C16H20F2N4O3S — CID 75203458

IUPACN-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)c(F)c3)no2)CC1
InChIInChI=1S/C16H20F2N4O3S/c1-26(23,24)19-9-10-2-5-12(6-3-10)20-16-21-15(22-25-16)11-4-7-13(17)14(18)8-11/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H,20,21,22)
InChIKeyBCXIQZONDWISFM-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.53
Rot. Bonds6

About N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide

N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide (PubChem CID 75203458) has the molecular formula C16H20F2N4O3S and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
PubChem CID75203458
Molecular FormulaC16H20F2N4O3S
Molecular Weight386.42 g/mol
Exact Mass386.12
IUPAC NameN-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)c(F)c3)no2)CC1
InChIInChI=1S/C16H20F2N4O3S/c1-26(23,24)19-9-10-2-5-12(6-3-10)20-16-21-15(22-25-16)11-4-7-13(17)14(18)8-11/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H,20,21,22)
InChIKeyBCXIQZONDWISFM-UHFFFAOYSA-N
XLogP2.53
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide (CID 75203458) is N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)c(F)c3)no2)CC1.
What is the InChIKey of N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The InChIKey is BCXIQZONDWISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O3S/c1-26(23,24)19-9-10-2-5-12(6-3-10)20-16-21-15(22-25-16)11-4-7-13(17)14(18)8-11/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H,20,21,22).
What are the key properties of N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide has a molecular weight of 386.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 75203458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).