2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid

C24H24N2O5S — CID 71819377

IUPAC2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2C(=O)O)c1
InChIInChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)20-12-8-11-19(15-20)23(27)25-22-14-13-18(16-21(22)24(28)29)17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyOPPUPRVYGQKQFT-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.33
Rot. Bonds8

About 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid

2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid (PubChem CID 71819377) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid
PubChem CID71819377
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2C(=O)O)c1
InChIInChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)20-12-8-11-19(15-20)23(27)25-22-14-13-18(16-21(22)24(28)29)17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyOPPUPRVYGQKQFT-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-({3-[(4-Bromophenyl)sulfamoyl]-4-Methylbenzoyl}amino)benzoic Acid
CID 2876107
Benzoic acid, 5-ethyl-2-[(phenylsulfonyl)amino]-
CID 10402833
Anthranilic Acid Sulfonamide, 23c
CID 11496773
Anthranilic Acid Sulfonamide, 28a
CID 11503191
Anthranilic Acid Sulfonamide, 10p
CID 11503764
Anthranilic Acid Sulfonamide, 10r
CID 11510858
Anthranilic Acid Sulfonamide, 28c
CID 11510884
Anthranilic Acid Sulfonamide, 28d
CID 11511194
Anthranilic Acid Sulfonamide, 10u
CID 11511667

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid (CID 71819377) is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2C(=O)O)c1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid?
The InChIKey is OPPUPRVYGQKQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)20-12-8-11-19(15-20)23(27)25-22-14-13-18(16-21(22)24(28)29)17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic acid?
2-[[3-(diethylsulfamoyl)benzoyl]amino]-5-phenylbenzoic 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)benzoyl]amino]-5-phenylbenzoic acid is sourced from PubChem (CID 71819377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).