3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide

C16H13ClFN3O3S — CID 110321156

IUPAC3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClFN3O3S/c17-12-2-1-3-14(10-12)25(22,23)19-9-8-15-20-21-16(24-15)11-4-6-13(18)7-5-11/h1-7,10,19H,8-9H2
InChIKeyAWLVRAWUVMNRPA-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.05
Rot. Bonds6

About 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide

3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 110321156) has the molecular formula C16H13ClFN3O3S and a molecular weight of 381.82 g/mol. Its IUPAC name is 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID110321156
Molecular FormulaC16H13ClFN3O3S
Molecular Weight381.82 g/mol
Exact Mass381.04
IUPAC Name3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClFN3O3S/c17-12-2-1-3-14(10-12)25(22,23)19-9-8-15-20-21-16(24-15)11-4-6-13(18)7-5-11/h1-7,10,19H,8-9H2
InChIKeyAWLVRAWUVMNRPA-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322551
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110321136
5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321140
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110321138
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzenesulfonamide
CID 110319229
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110321135
3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584379
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (CID 110321156) is 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is AWLVRAWUVMNRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3S/c17-12-2-1-3-14(10-12)25(22,23)19-9-8-15-20-21-16(24-15)11-4-6-13(18)7-5-11/h1-7,10,19H,8-9H2.
What are the key properties of 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 381.82 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110321156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).