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

C17H16ClN3O3S — CID 110320476

IUPAC1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H16ClN3O3S/c18-15-8-6-13(7-9-15)12-25(22,23)19-11-10-16-20-21-17(24-16)14-4-2-1-3-5-14/h1-9,19H,10-12H2
InChIKeyWIGAWVKLYSHACC-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.05
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 110320476) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
PubChem CID110320476
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H16ClN3O3S/c18-15-8-6-13(7-9-15)12-25(22,23)19-11-10-16-20-21-17(24-16)14-4-2-1-3-5-14/h1-9,19H,10-12H2
InChIKeyWIGAWVKLYSHACC-UHFFFAOYSA-N
XLogP3.05
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.05
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
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
1-(4-chlorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110368545
1-(4-methylphenyl)-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321378
1-(4-methylphenyl)-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320905
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320446
2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 42632514
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320490
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide (CID 110320476) is 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is WIGAWVKLYSHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-15-8-6-13(7-9-15)12-25(22,23)19-11-10-16-20-21-17(24-16)14-4-2-1-3-5-14/h1-9,19H,10-12H2.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110320476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).