N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide

C23H22Cl2N2O4S — CID 5022343

IUPACN-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)CCCOc3ccccc3)c2)cc1Cl
InChIInChI=1S/C23H22Cl2N2O4S/c1-16-9-10-17(14-21(16)25)27-32(29,30)19-11-12-20(24)22(15-19)26-23(28)8-5-13-31-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,27H,5,8,13H2,1H3,(H,26,28)
InChIKeyKLAYTHVWMOAMOK-UHFFFAOYSA-N
MW493.41 g/mol
LogP5.90
Rot. Bonds9

About N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide

N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide (PubChem CID 5022343) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide
PubChem CID5022343
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC NameN-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)CCCOc3ccccc3)c2)cc1Cl
InChIInChI=1S/C23H22Cl2N2O4S/c1-16-9-10-17(14-21(16)25)27-32(29,30)19-11-12-20(24)22(15-19)26-23(28)8-5-13-31-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,27H,5,8,13H2,1H3,(H,26,28)
InChIKeyKLAYTHVWMOAMOK-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

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide
CID 4969682
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
CID 4788551
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
CID 131947688

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide (CID 5022343) is N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)CCCOc3ccccc3)c2)cc1Cl.
What is the InChIKey of N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide?
The InChIKey is KLAYTHVWMOAMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-16-9-10-17(14-21(16)25)27-32(29,30)19-11-12-20(24)22(15-19)26-23(28)8-5-13-31-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,27H,5,8,13H2,1H3,(H,26,28).
What are the key properties of N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide?
N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide 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 N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 5022343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).