4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide

C22H22N4O4S — CID 18289472

IUPAC4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N4O4S/c1-26(2)31(29,30)20-14-8-16(9-15-20)21(27)23-18-10-12-19(13-11-18)25-22(28)24-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyBMMIUBRIVNPQOJ-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.83
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide

4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 18289472) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID18289472
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N4O4S/c1-26(2)31(29,30)20-14-8-16(9-15-20)21(27)23-18-10-12-19(13-11-18)25-22(28)24-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyBMMIUBRIVNPQOJ-UHFFFAOYSA-N
XLogP3.83
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
CID 9242121
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide (CID 18289472) is 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is BMMIUBRIVNPQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-26(2)31(29,30)20-14-8-16(9-15-20)21(27)23-18-10-12-19(13-11-18)25-22(28)24-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,23,27)(H2,24,25,28).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 18289472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).