N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C23H23N3O5S2 — CID 6218294

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O5S2/c1-26(2)33(30,31)22-10-6-9-21(17-22)24-23(27)19-11-13-20(14-12-19)25-32(28,29)16-15-18-7-4-3-5-8-18/h3-17,25H,1-2H3,(H,24,27)/b16-15+
InChIKeyZBQASBZOUKRCPD-FOCLMDBBSA-N
MW485.59 g/mol
LogP3.60
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 6218294) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID6218294
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O5S2/c1-26(2)33(30,31)22-10-6-9-21(17-22)24-23(27)19-11-13-20(14-12-19)25-32(28,29)16-15-18-7-4-3-5-8-18/h3-17,25H,1-2H3,(H,24,27)/b16-15+
InChIKeyZBQASBZOUKRCPD-FOCLMDBBSA-N
XLogP3.60
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
N-(5-acetamido-2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55692087
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55991558
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 6218294) is N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is ZBQASBZOUKRCPD-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-26(2)33(30,31)22-10-6-9-21(17-22)24-23(27)19-11-13-20(14-12-19)25-32(28,29)16-15-18-7-4-3-5-8-18/h3-17,25H,1-2H3,(H,24,27)/b16-15+.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 485.59 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 6218294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).