3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

C23H20N4O3S — CID 30378303

IUPAC3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N4O3S/c28-23(25-16-18-9-11-21(12-10-18)27-14-13-24-17-27)19-5-4-6-20(15-19)26-31(29,30)22-7-2-1-3-8-22/h1-15,17,26H,16H2,(H,25,28)
InChIKeyMRZZYRLHJCAAIN-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.60
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 30378303) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID30378303
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N4O3S/c28-23(25-16-18-9-11-21(12-10-18)27-14-13-24-17-27)19-5-4-6-20(15-19)26-31(29,30)22-7-2-1-3-8-22/h1-15,17,26H,16H2,(H,25,28)
InChIKeyMRZZYRLHJCAAIN-UHFFFAOYSA-N
XLogP3.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 47074711
3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 46431752
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-[(3-chlorophenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734423
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
methyl 3-[(4-imidazol-1-ylphenyl)methylsulfamoyl]benzoate
CID 95176031
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 32933110
N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
CID 22773246
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (CID 30378303) is 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is MRZZYRLHJCAAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-23(25-16-18-9-11-21(12-10-18)27-14-13-24-17-27)19-5-4-6-20(15-19)26-31(29,30)22-7-2-1-3-8-22/h1-15,17,26H,16H2,(H,25,28).
What are the key properties of 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 30378303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).