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

C17H23FN4O3S — CID 70675703

IUPACN-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C17H23FN4O3S/c1-2-26(23,24)19-11-12-3-9-15(10-4-12)20-17-21-16(22-25-17)13-5-7-14(18)8-6-13/h5-8,12,15,19H,2-4,9-11H2,1H3,(H,20,21,22)
InChIKeyRYISNCRYUSURKV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.79
Rot. Bonds7

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

N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 70675703) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
PubChem CID70675703
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC NameN-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C17H23FN4O3S/c1-2-26(23,24)19-11-12-3-9-15(10-4-12)20-17-21-16(22-25-17)13-5-7-14(18)8-6-13/h5-8,12,15,19H,2-4,9-11H2,1H3,(H,20,21,22)
InChIKeyRYISNCRYUSURKV-UHFFFAOYSA-N
XLogP2.79
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide (CID 70675703) is N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is RYISNCRYUSURKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-2-26(23,24)19-11-12-3-9-15(10-4-12)20-17-21-16(22-25-17)13-5-7-14(18)8-6-13/h5-8,12,15,19H,2-4,9-11H2,1H3,(H,20,21,22).
What are the key properties of N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 382.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 70675703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).