3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide

C26H21N3O5S — CID 142738706

IUPAC3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C26H21N3O5S/c27-25(30)18-7-4-9-20(15-18)28-26(31)19-8-5-14-24(16-19)35(32,33)29-21-10-6-13-23(17-21)34-22-11-2-1-3-12-22/h1-17,29H,(H2,27,30)(H,28,31)
InChIKeyOBLJHRWNLBZUES-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.63
Rot. Bonds8

About 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide

3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 142738706) has the molecular formula C26H21N3O5S and a molecular weight of 487.54 g/mol. Its IUPAC name is 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID142738706
Molecular FormulaC26H21N3O5S
Molecular Weight487.54 g/mol
Exact Mass487.12
IUPAC Name3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C26H21N3O5S/c27-25(30)18-7-4-9-20(15-18)28-26(31)19-8-5-14-24(16-19)35(32,33)29-21-10-6-13-23(17-21)34-22-11-2-1-3-12-22/h1-17,29H,(H2,27,30)(H,28,31)
InChIKeyOBLJHRWNLBZUES-UHFFFAOYSA-N
XLogP4.63
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738756
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
molecular hydrogen;3-phenoxy-N-(3-sulfamoylphenyl)benzamide
CID 158388567
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
3-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyphenyl)benzamide
CID 121042034
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide (CID 142738706) is 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide is NC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c2)c1.
What is the InChIKey of 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is OBLJHRWNLBZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5S/c27-25(30)18-7-4-9-20(15-18)28-26(31)19-8-5-14-24(16-19)35(32,33)29-21-10-6-13-23(17-21)34-22-11-2-1-3-12-22/h1-17,29H,(H2,27,30)(H,28,31).
What are the key properties of 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 487.54 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 142738706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).