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

C16H13ClFN3O3S — CID 110319212

IUPAC1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H13ClFN3O3S/c17-14-4-2-1-3-12(14)10-25(22,23)19-9-15-20-21-16(24-15)11-5-7-13(18)8-6-11/h1-8,19H,9-10H2
InChIKeyLIMGHBMORKMRMS-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.15
Rot. Bonds6

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

1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (PubChem CID 110319212) has the molecular formula C16H13ClFN3O3S and a molecular weight of 381.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
PubChem CID110319212
Molecular FormulaC16H13ClFN3O3S
Molecular Weight381.82 g/mol
Exact Mass381.04
IUPAC Name1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H13ClFN3O3S/c17-14-4-2-1-3-12(14)10-25(22,23)19-9-15-20-21-16(24-15)11-5-7-13(18)8-6-11/h1-8,19H,9-10H2
InChIKeyLIMGHBMORKMRMS-UHFFFAOYSA-N
XLogP3.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 110318782
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]methanesulfonamide
CID 110782254
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
4-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110320165
3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321156
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzenesulfonamide
CID 110319229
N-[(2-chlorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906292
5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321140
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110321992
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
CID 110288266

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (CID 110319212) is 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The InChIKey is LIMGHBMORKMRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3S/c17-14-4-2-1-3-12(14)10-25(22,23)19-9-15-20-21-16(24-15)11-5-7-13(18)8-6-11/h1-8,19H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide has a molecular weight of 381.82 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110319212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).