N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide

C18H18ClN3O3S — CID 110321691

IUPACN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-13-2-4-14(5-3-13)12-26(23,24)20-11-10-17-21-22-18(25-17)15-6-8-16(19)9-7-15/h2-9,20H,10-12H2,1H3
InChIKeySMHFPFKUUVOEBT-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.36
Rot. Bonds7

About N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide

N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110321691) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110321691
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-13-2-4-14(5-3-13)12-26(23,24)20-11-10-17-21-22-18(25-17)15-6-8-16(19)9-7-15/h2-9,20H,10-12H2,1H3
InChIKeySMHFPFKUUVOEBT-UHFFFAOYSA-N
XLogP3.36
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
1-(4-methylphenyl)-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320905
1-(4-methylphenyl)-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321378
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
1-(4-chlorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110368545
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319492
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110321992

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide (CID 110321691) is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is SMHFPFKUUVOEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-13-2-4-14(5-3-13)12-26(23,24)20-11-10-17-21-22-18(25-17)15-6-8-16(19)9-7-15/h2-9,20H,10-12H2,1H3.
What are the key properties of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide?
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 391.88 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110321691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).