4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide

C26H21ClN2O3S — CID 46385848

IUPAC4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H21ClN2O3S/c27-23-7-4-8-24(17-23)29-26(30)22-11-9-20(10-12-22)21-13-15-25(16-14-21)33(31,32)28-18-19-5-2-1-3-6-19/h1-17,28H,18H2,(H,29,30)
InChIKeyOPDSRMFVTATXEQ-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.74
Rot. Bonds7

About 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide

4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide (PubChem CID 46385848) has the molecular formula C26H21ClN2O3S and a molecular weight of 476.99 g/mol. Its IUPAC name is 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
PubChem CID46385848
Molecular FormulaC26H21ClN2O3S
Molecular Weight476.99 g/mol
Exact Mass476.10
IUPAC Name4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H21ClN2O3S/c27-23-7-4-8-24(17-23)29-26(30)22-11-9-20(10-12-22)21-13-15-25(16-14-21)33(31,32)28-18-19-5-2-1-3-6-19/h1-17,28H,18H2,(H,29,30)
InChIKeyOPDSRMFVTATXEQ-UHFFFAOYSA-N
XLogP5.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide?
The IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide (CID 46385848) is 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide?
The InChIKey is OPDSRMFVTATXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O3S/c27-23-7-4-8-24(17-23)29-26(30)22-11-9-20(10-12-22)21-13-15-25(16-14-21)33(31,32)28-18-19-5-2-1-3-6-19/h1-17,28H,18H2,(H,29,30).
What are the key properties of 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide?
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide has a molecular weight of 476.99 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 46385848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).