3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid

C16H16N2O5S — CID 851384

IUPAC3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C16H16N2O5S/c1-18(2)24(22,23)14-8-6-11(7-9-14)15(19)17-13-5-3-4-12(10-13)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21)
InChIKeyIGPPQDATTOTZPC-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.89
Rot. Bonds5

About 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid

3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid (PubChem CID 851384) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid
PubChem CID851384
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C16H16N2O5S/c1-18(2)24(22,23)14-8-6-11(7-9-14)15(19)17-13-5-3-4-12(10-13)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21)
InChIKeyIGPPQDATTOTZPC-UHFFFAOYSA-N
XLogP1.89
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(Allyl-Phenyl-Sulfamoyl)-Benzoic Acid
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3-[Benzyl(phenyl)sulfamoyl]benzoic acid
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2-(3,5-Dimethylpiperidino)-5-[(phenylsulfonyl)amino]benzoic acid
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5-Acetamido-2-(2-carboxyphenylthio)benzoic acid
CID 2824963
3-(Benzoylamino)benzoic acid
CID 256617
Besunide
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3-[Butyl(phenyl)sulfamoyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid (CID 851384) is 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid?
The InChIKey is IGPPQDATTOTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-18(2)24(22,23)14-8-6-11(7-9-14)15(19)17-13-5-3-4-12(10-13)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid?
3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 851384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).