4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide

C23H22Cl2N2O4S — CID 3568718

IUPAC4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-16-4-11-20(12-5-16)32(29,30)27-19-9-7-18(8-10-19)26-23(28)3-2-14-31-22-13-6-17(24)15-21(22)25/h4-13,15,27H,2-3,14H2,1H3,(H,26,28)
InChIKeyLARQDXZWOIWECD-UHFFFAOYSA-N
MW493.41 g/mol
LogP5.90
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide

4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide (PubChem CID 3568718) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
PubChem CID3568718
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-16-4-11-20(12-5-16)32(29,30)27-19-9-7-18(8-10-19)26-23(28)3-2-14-31-22-13-6-17(24)15-21(22)25/h4-13,15,27H,2-3,14H2,1H3,(H,26,28)
InChIKeyLARQDXZWOIWECD-UHFFFAOYSA-N
XLogP5.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990
4-(2,4-dichlorophenoxy)-N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]butanamide
CID 3256034
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 4777944
5-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 4849820
4-(2-bromo-4-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 19202578
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 67990189
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide (CID 3568718) is 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The InChIKey is LARQDXZWOIWECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-16-4-11-20(12-5-16)32(29,30)27-19-9-7-18(8-10-19)26-23(28)3-2-14-31-22-13-6-17(24)15-21(22)25/h4-13,15,27H,2-3,14H2,1H3,(H,26,28).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide has a molecular weight of 493.41 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide is sourced from PubChem (CID 3568718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).