N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C22H17ClN4O4S — CID 50822916

IUPACN-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1
InChIInChI=1S/C22H17ClN4O4S/c1-14(28)24-18-8-4-16(5-9-18)22-25-21(26-31-22)15-2-10-19(11-3-15)27-32(29,30)20-12-6-17(23)7-13-20/h2-13,27H,1H3,(H,24,28)
InChIKeyBXAZZEFACHZGAR-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.82
Rot. Bonds6

About N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 50822916) has the molecular formula C22H17ClN4O4S and a molecular weight of 468.92 g/mol. Its IUPAC name is N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID50822916
Molecular FormulaC22H17ClN4O4S
Molecular Weight468.92 g/mol
Exact Mass468.07
IUPAC NameN-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1
InChIInChI=1S/C22H17ClN4O4S/c1-14(28)24-18-8-4-16(5-9-18)22-25-21(26-31-22)15-2-10-19(11-3-15)27-32(29,30)20-12-6-17(23)7-13-20/h2-13,27H,1H3,(H,24,28)
InChIKeyBXAZZEFACHZGAR-UHFFFAOYSA-N
XLogP4.82
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 50822969
N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155561483
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
CID 50823137
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 50769169
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 39867589
N-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
CID 86959815
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
CID 50769168
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-(4-methylphenyl)-1-benzofuran-5-sulfonamide
CID 53082492
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121044912

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 50822916) is N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1.
What is the InChIKey of N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is BXAZZEFACHZGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4S/c1-14(28)24-18-8-4-16(5-9-18)22-25-21(26-31-22)15-2-10-19(11-3-15)27-32(29,30)20-12-6-17(23)7-13-20/h2-13,27H,1H3,(H,24,28).
What are the key properties of N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 468.92 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 50822916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).