N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide

C18H25FN4O3S — CID 70675706

IUPACN-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3cccc(F)c3)no2)CC1
InChIInChI=1S/C18H25FN4O3S/c1-12(2)27(24,25)20-11-13-6-8-16(9-7-13)21-18-22-17(23-26-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,20H,6-9,11H2,1-2H3,(H,21,22,23)
InChIKeyTWEJXTRQRWGQRM-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.17
Rot. Bonds7

About N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide

N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 70675706) has the molecular formula C18H25FN4O3S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID70675706
Molecular FormulaC18H25FN4O3S
Molecular Weight396.49 g/mol
Exact Mass396.16
IUPAC NameN-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3cccc(F)c3)no2)CC1
InChIInChI=1S/C18H25FN4O3S/c1-12(2)27(24,25)20-11-13-6-8-16(9-7-13)21-18-22-17(23-26-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,20H,6-9,11H2,1-2H3,(H,21,22,23)
InChIKeyTWEJXTRQRWGQRM-UHFFFAOYSA-N
XLogP3.17
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70675703
N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]ethanesulfonamide
CID 70675704
N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70675705
N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 70675708
N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
CID 70675709
N-[[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70675727
N-[[4-[[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70675728
N-[[4-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70675729
N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
CID 70675730
2-methyl-N-[[4-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 89986726
N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
CID 70675707
N-cyclohexyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 21795195

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 70675706) is N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3cccc(F)c3)no2)CC1.
What is the InChIKey of N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is TWEJXTRQRWGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3S/c1-12(2)27(24,25)20-11-13-6-8-16(9-7-13)21-18-22-17(23-26-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,20H,6-9,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 396.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 70675706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).