N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

C17H11ClF5N3O4S — CID 167898216

IUPACN-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCOCCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C17H11ClF5N3O4S/c1-29-5-4-10-24-17(30-25-10)8-6-7(18)2-3-9(8)26-31(27,28)16-14(22)12(20)11(19)13(21)15(16)23/h2-3,6,26H,4-5H2,1H3
InChIKeyOIUUQYUUPXIMTG-UHFFFAOYSA-N
MW483.80 g/mol
LogP4.08
Rot. Bonds7

About N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 167898216) has the molecular formula C17H11ClF5N3O4S and a molecular weight of 483.80 g/mol. Its IUPAC name is N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID167898216
Molecular FormulaC17H11ClF5N3O4S
Molecular Weight483.80 g/mol
Exact Mass483.01
IUPAC NameN-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCOCCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C17H11ClF5N3O4S/c1-29-5-4-10-24-17(30-25-10)8-6-7(18)2-3-9(8)26-31(27,28)16-14(22)12(20)11(19)13(21)15(16)23/h2-3,6,26H,4-5H2,1H3
InChIKeyOIUUQYUUPXIMTG-UHFFFAOYSA-N
XLogP4.08
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 99786603
3-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114002284
N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120959975
N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064465
N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 166324593
2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 61412241
N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155143
3-(bromomethyl)-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 130536150
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-nitroaniline
CID 61412440
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 103827457
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 61412543

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (CID 167898216) is N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is COCCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is OIUUQYUUPXIMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF5N3O4S/c1-29-5-4-10-24-17(30-25-10)8-6-7(18)2-3-9(8)26-31(27,28)16-14(22)12(20)11(19)13(21)15(16)23/h2-3,6,26H,4-5H2,1H3.
What are the key properties of N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 483.80 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 167898216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).