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

C16H21FN4O3S — CID 70675707

IUPACN-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C16H21FN4O3S/c1-25(22,23)18-10-11-2-8-14(9-3-11)19-16-20-15(21-24-16)12-4-6-13(17)7-5-12/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,20,21)
InChIKeyWKOHIQBHDYTBDY-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.40
Rot. Bonds6

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

N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide (PubChem CID 70675707) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
PubChem CID70675707
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC NameN-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C16H21FN4O3S/c1-25(22,23)18-10-11-2-8-14(9-3-11)19-16-20-15(21-24-16)12-4-6-13(17)7-5-12/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,20,21)
InChIKeyWKOHIQBHDYTBDY-UHFFFAOYSA-N
XLogP2.40
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

CID 70675703
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CID 70675708
CID 70675708
CID 70675709
CID 70675709
CID 70675727
CID 70675727
CID 70675728
CID 70675728
CID 70675729
CID 70675729
CID 70675730
CID 70675730
CID 89986726
CID 89986726
CID 46342041
CID 46342041

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide (CID 70675707) is N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide is CS(=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]methanesulfonamide?
The InChIKey is WKOHIQBHDYTBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-25(22,23)18-10-11-2-8-14(9-3-11)19-16-20-15(21-24-16)12-4-6-13(17)7-5-12/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,20,21).
What are the key properties of N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
N-[[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide has a molecular weight of 368.43 g/mol, XLogP of 2.40, 6 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]methanesulfonamide is sourced from PubChem (CID 70675707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).