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

C19H22N2O5S — CID 1379292

IUPAC2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1C
InChIInChI=1S/C19H22N2O5S/c1-4-21(5-2)27(25,26)17-12-14(11-10-13(17)3)18(22)20-16-9-7-6-8-15(16)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyZVRHZDYBPCRVMN-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.98
Rot. Bonds7

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

2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid (PubChem CID 1379292) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
PubChem CID1379292
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1C
InChIInChI=1S/C19H22N2O5S/c1-4-21(5-2)27(25,26)17-12-14(11-10-13(17)3)18(22)20-16-9-7-6-8-15(16)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyZVRHZDYBPCRVMN-UHFFFAOYSA-N
XLogP2.98
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 26290598
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26409898
2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid (CID 1379292) is 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1C.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
The InChIKey is ZVRHZDYBPCRVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-21(5-2)27(25,26)17-12-14(11-10-13(17)3)18(22)20-16-9-7-6-8-15(16)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 1379292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).