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

C25H20ClN5O4S — CID 50769168

IUPACN-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1
InChIInChI=1S/C25H20ClN5O4S/c1-34-21-10-12-22(13-11-21)36(32,33)30-20-8-2-17(3-9-20)14-31-15-23(27-16-31)25-28-24(29-35-25)18-4-6-19(26)7-5-18/h2-13,15-16,30H,14H2,1H3
InChIKeyBKGIHACGCMCYCN-UHFFFAOYSA-N
MW521.99 g/mol
LogP5.11
Rot. Bonds8

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

N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 50769168) has the molecular formula C25H20ClN5O4S and a molecular weight of 521.99 g/mol. Its IUPAC name is N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID50769168
Molecular FormulaC25H20ClN5O4S
Molecular Weight521.99 g/mol
Exact Mass521.09
IUPAC NameN-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1
InChIInChI=1S/C25H20ClN5O4S/c1-34-21-10-12-22(13-11-21)36(32,33)30-20-8-2-17(3-9-20)14-31-15-23(27-16-31)25-28-24(29-35-25)18-4-6-19(26)7-5-18/h2-13,15-16,30H,14H2,1H3
InChIKeyBKGIHACGCMCYCN-UHFFFAOYSA-N
XLogP5.11
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.99
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 50769169
2-fluoro-N-[4-[[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 46295639
4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 46295667
N-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 46295685
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]benzamide
CID 50769142
1-(3-chlorophenyl)-3-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058493
1-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(3-fluoro-4-methylphenyl)urea
CID 53058558
1-(5-chloro-2-methylphenyl)-3-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058506
1-[4-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(3-methoxyphenyl)urea
CID 53058424
1-(4-ethoxyphenyl)-3-[4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 46506944

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide (CID 50769168) is N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is BKGIHACGCMCYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O4S/c1-34-21-10-12-22(13-11-21)36(32,33)30-20-8-2-17(3-9-20)14-31-15-23(27-16-31)25-28-24(29-35-25)18-4-6-19(26)7-5-18/h2-13,15-16,30H,14H2,1H3.
What are the key properties of N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide?
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 521.99 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 50769168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).