N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide

C24H22Cl3NO4S — CID 19218656

IUPACN-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
SMILESCc1ccc(C)c(N(C(=O)CCCOc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22Cl3NO4S/c1-16-5-6-17(2)22(14-16)28(33(30,31)20-10-7-18(25)8-11-20)24(29)4-3-13-32-23-12-9-19(26)15-21(23)27/h5-12,14-15H,3-4,13H2,1-2H3
InChIKeyOAOOYGJRLGDSIA-UHFFFAOYSA-N
MW526.87 g/mol
LogP6.84
Rot. Bonds8

About N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide

N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide (PubChem CID 19218656) has the molecular formula C24H22Cl3NO4S and a molecular weight of 526.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
PubChem CID19218656
Molecular FormulaC24H22Cl3NO4S
Molecular Weight526.87 g/mol
Exact Mass525.03
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
SMILESCc1ccc(C)c(N(C(=O)CCCOc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22Cl3NO4S/c1-16-5-6-17(2)22(14-16)28(33(30,31)20-10-7-18(25)8-11-20)24(29)4-3-13-32-23-12-9-19(26)15-21(23)27/h5-12,14-15H,3-4,13H2,1-2H3
InChIKeyOAOOYGJRLGDSIA-UHFFFAOYSA-N
XLogP6.84
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.87
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-4-ethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)butanamide
CID 19219662
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218645
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19217731
2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19212751
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)acetamide
CID 19212848
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19218271
4-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218973

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide (CID 19218656) is N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide is Cc1ccc(C)c(N(C(=O)CCCOc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
The InChIKey is OAOOYGJRLGDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3NO4S/c1-16-5-6-17(2)22(14-16)28(33(30,31)20-10-7-18(25)8-11-20)24(29)4-3-13-32-23-12-9-19(26)15-21(23)27/h5-12,14-15H,3-4,13H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide?
N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide has a molecular weight of 526.87 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide is sourced from PubChem (CID 19218656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).