2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid

C24H24N2O5S — CID 11751352

IUPAC2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)22-16-18(14-15-19(22)17-10-6-5-7-11-17)23(27)25-21-13-9-8-12-20(21)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyKMMZRKJPMPMXAM-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.33
Rot. Bonds8

About 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid

2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid (PubChem CID 11751352) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid
PubChem CID11751352
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)22-16-18(14-15-19(22)17-10-6-5-7-11-17)23(27)25-21-13-9-8-12-20(21)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyKMMZRKJPMPMXAM-UHFFFAOYSA-N
XLogP4.33
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl)carbonyl)amino)benzoic acid
CID 24941254
2-(((4-Bromo-3-(diethylsulfamoyl)phenyl)carbonyl)amino)benzoic acid
CID 1121782
3-[Benzyl(phenyl)sulfamoyl]benzoic acid
CID 2389222
2-[(Biphenyl-4-ylcarbonyl)amino]benzoic acid
CID 914489
2-({3-[(4-Bromophenyl)sulfamoyl]-4-Methylbenzoyl}amino)benzoic Acid
CID 2876107
Anthranilic Acid Sulfonamide, 23b
CID 11576709
Anthranilic Acid Sulfonamide, 23d
CID 11576736
Anthranilic Acid Sulfonamide, 10ao
CID 11583139
Anthranilic Acid Sulfonamide, 14c
CID 11598299
2-[3-(4-Phenylphenyl)propanamido]benzoic acid
CID 11617151
Anthranilic Acid Sulfonamide, 23a
CID 11641405
Anthranilic Acid Sulfonamide, 14a
CID 11669769

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid (CID 11751352) is 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1-c1ccccc1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid?
The InChIKey is KMMZRKJPMPMXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)22-16-18(14-15-19(22)17-10-6-5-7-11-17)23(27)25-21-13-9-8-12-20(21)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid?
2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid has a molecular weight of 452.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)-4-phenylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 11751352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).