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

C16H13ClFN3O4S — CID 110319082

IUPAC5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C16H13ClFN3O4S/c1-24-13-7-6-10(17)8-14(13)26(22,23)19-9-15-20-21-16(25-15)11-4-2-3-5-12(11)18/h2-8,19H,9H2,1H3
InChIKeyOLYMMHJQHLICGS-UHFFFAOYSA-N
MW397.82 g/mol
LogP3.02
Rot. Bonds6

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

5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 110319082) has the molecular formula C16H13ClFN3O4S and a molecular weight of 397.82 g/mol. Its IUPAC name is 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID110319082
Molecular FormulaC16H13ClFN3O4S
Molecular Weight397.82 g/mol
Exact Mass397.03
IUPAC Name5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C16H13ClFN3O4S/c1-24-13-7-6-10(17)8-14(13)26(22,23)19-9-15-20-21-16(25-15)11-4-2-3-5-12(11)18/h2-8,19H,9H2,1H3
InChIKeyOLYMMHJQHLICGS-UHFFFAOYSA-N
XLogP3.02
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996
4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319079
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110318988
2,5-dimethoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318618
5-chloro-2-methoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320920
3-chloro-4-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652660
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 110319082) is 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1nnc(-c2ccccc2F)o1.
What is the InChIKey of 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is OLYMMHJQHLICGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O4S/c1-24-13-7-6-10(17)8-14(13)26(22,23)19-9-15-20-21-16(25-15)11-4-2-3-5-12(11)18/h2-8,19H,9H2,1H3.
What are the key properties of 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 397.82 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110319082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).