N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide

C21H15F2N3O4S — CID 50823137

IUPACN-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccc(F)c(F)c4)n3)cc2)cc1
InChIInChI=1S/C21H15F2N3O4S/c1-29-16-7-9-17(10-8-16)31(27,28)26-15-5-2-13(3-6-15)20-24-21(30-25-20)14-4-11-18(22)19(23)12-14/h2-12,26H,1H3
InChIKeyFLMDZYBYTYINPK-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.49
Rot. Bonds6

About N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide

N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 50823137) has the molecular formula C21H15F2N3O4S and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID50823137
Molecular FormulaC21H15F2N3O4S
Molecular Weight443.43 g/mol
Exact Mass443.08
IUPAC NameN-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccc(F)c(F)c4)n3)cc2)cc1
InChIInChI=1S/C21H15F2N3O4S/c1-29-16-7-9-17(10-8-16)31(27,28)26-15-5-2-13(3-6-15)20-24-21(30-25-20)14-4-11-18(22)19(23)12-14/h2-12,26H,1H3
InChIKeyFLMDZYBYTYINPK-UHFFFAOYSA-N
XLogP4.49
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
3,4-difluoro-N-[4-[[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 50769117
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
CID 50769168
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 138008041
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 50822969
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823172
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide (CID 50823137) is N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccc(F)c(F)c4)n3)cc2)cc1.
What is the InChIKey of N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is FLMDZYBYTYINPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O4S/c1-29-16-7-9-17(10-8-16)31(27,28)26-15-5-2-13(3-6-15)20-24-21(30-25-20)14-4-11-18(22)19(23)12-14/h2-12,26H,1H3.
What are the key properties of N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide?
N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 443.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 50823137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).