2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide

C24H18ClN3O5S — CID 53082434

IUPAC2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(-c4nc(-c5cccc(Cl)c5)no4)c(C)c3c2)cc1
InChIInChI=1S/C24H18ClN3O5S/c1-14-20-13-19(34(29,30)28-17-6-8-18(31-2)9-7-17)10-11-21(20)32-22(14)24-26-23(27-33-24)15-4-3-5-16(25)12-15/h3-13,28H,1-2H3
InChIKeyRPBZZJNIZFAMMX-UHFFFAOYSA-N
MW495.94 g/mol
LogP5.92
Rot. Bonds6

About 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide (PubChem CID 53082434) has the molecular formula C24H18ClN3O5S and a molecular weight of 495.94 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide
PubChem CID53082434
Molecular FormulaC24H18ClN3O5S
Molecular Weight495.94 g/mol
Exact Mass495.07
IUPAC Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(-c4nc(-c5cccc(Cl)c5)no4)c(C)c3c2)cc1
InChIInChI=1S/C24H18ClN3O5S/c1-14-20-13-19(34(29,30)28-17-6-8-18(31-2)9-7-17)10-11-21(20)32-22(14)24-26-23(27-33-24)15-4-3-5-16(25)12-15/h3-13,28H,1-2H3
InChIKeyRPBZZJNIZFAMMX-UHFFFAOYSA-N
XLogP5.92
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.94
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-(4-methylphenyl)-1-benzofuran-5-sulfonamide
CID 53082492
3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
CID 53082477
3-(3-chlorophenyl)-5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-1,2,4-oxadiazole
CID 53082467
3-(3-chlorophenyl)-5-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]-1,2,4-oxadiazole
CID 53043367
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418
5-[5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 95058959
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
CID 50823137
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
3-(3,5-dimethoxyphenyl)-5-[5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-yl]-1,2,4-oxadiazole
CID 95058951
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide (CID 53082434) is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3oc(-c4nc(-c5cccc(Cl)c5)no4)c(C)c3c2)cc1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide?
The InChIKey is RPBZZJNIZFAMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O5S/c1-14-20-13-19(34(29,30)28-17-6-8-18(31-2)9-7-17)10-11-21(20)32-22(14)24-26-23(27-33-24)15-4-3-5-16(25)12-15/h3-13,28H,1-2H3.
What are the key properties of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide?
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide has a molecular weight of 495.94 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 53082434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).