N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide

C23H23ClN2O4S — CID 21173519

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-17-7-11-21(12-8-17)30-15-3-6-23(27)25-19-9-13-22(14-10-19)31(28,29)26-20-5-2-4-18(24)16-20/h2,4-5,7-14,16,26H,3,6,15H2,1H3,(H,25,27)
InChIKeyIJSBESRENFVIRH-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.25
Rot. Bonds9

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide (PubChem CID 21173519) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
PubChem CID21173519
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-17-7-11-21(12-8-17)30-15-3-6-23(27)25-19-9-13-22(14-10-19)31(28,29)26-20-5-2-4-18(24)16-20/h2,4-5,7-14,16,26H,3,6,15H2,1H3,(H,25,27)
InChIKeyIJSBESRENFVIRH-UHFFFAOYSA-N
XLogP5.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.25
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-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 3568718
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 126412762
N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3908573
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide (CID 21173519) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is IJSBESRENFVIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-17-7-11-21(12-8-17)30-15-3-6-23(27)25-19-9-13-22(14-10-19)31(28,29)26-20-5-2-4-18(24)16-20/h2,4-5,7-14,16,26H,3,6,15H2,1H3,(H,25,27).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 458.97 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 21173519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).