4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate

C16H15N2O5S- — CID 6978549

IUPAC4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-18(2)24(22,23)14-9-5-11(6-10-14)15(19)17-13-7-3-12(4-8-13)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21)/p-1
InChIKeyYRYAIMQCWMNAGU-UHFFFAOYSA-M
MW347.37 g/mol
LogP0.55
Rot. Bonds5

About 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate

4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 6978549) has the molecular formula C16H15N2O5S- and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Name4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
PubChem CID6978549
Molecular FormulaC16H15N2O5S-
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-18(2)24(22,23)14-9-5-11(6-10-14)15(19)17-13-7-3-12(4-8-13)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21)/p-1
InChIKeyYRYAIMQCWMNAGU-UHFFFAOYSA-M
XLogP0.55
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate (CID 6978549) is 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is YRYAIMQCWMNAGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O5S/c1-18(2)24(22,23)14-9-5-11(6-10-14)15(19)17-13-7-3-12(4-8-13)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21)/p-1.
What are the key properties of 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 347.37 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 6978549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).