N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide

C14H18ClN3O3S — CID 97212046

IUPACN-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H](C)c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H18ClN3O3S/c1-3-8-22(19,20)18-10(2)14-16-13(17-21-14)9-11-6-4-5-7-12(11)15/h4-7,10,18H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyJESHUWCRWBXNSD-SNVBAGLBSA-N
MW343.84 g/mol
LogP2.70
Rot. Bonds7

About N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide

N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide (PubChem CID 97212046) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
PubChem CID97212046
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC NameN-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H](C)c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H18ClN3O3S/c1-3-8-22(19,20)18-10(2)14-16-13(17-21-14)9-11-6-4-5-7-12(11)15/h4-7,10,18H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyJESHUWCRWBXNSD-SNVBAGLBSA-N
XLogP2.70
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 42891250
N-[2-(4-Chlorophenyl)ethyl]-2-{methyl[1-(3-methyl-1,2,4-oxadiazol-5-YL)ethyl]amino}acetamide
CID 50953992
N-[2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
CID 71975503
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
CID 71975512
1-[3-(2-Chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-ethylamine
CID 6492298
N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 4898150
1-(3-Chlorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-YL)ethyl]methanesulfonamide
CID 91907175
N-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-4-fluorobenzenesulfonamide
CID 6458226
1-(4-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propanamine
CID 45929902
[2-(4-Chlorophenyl)-1-methylethyl][1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]amine trifluoroacetate
CID 45932732
1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 71914076
3-(2-chlorophenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 95049495

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide (CID 97212046) is N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@H](C)c1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide?
The InChIKey is JESHUWCRWBXNSD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-3-8-22(19,20)18-10(2)14-16-13(17-21-14)9-11-6-4-5-7-12(11)15/h4-7,10,18H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide?
N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide has a molecular weight of 343.84 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 97212046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).