2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid

C20H14Cl2N2O5S — CID 10183345

IUPAC2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H14Cl2N2O5S/c21-13-8-9-18(16(22)11-13)24-30(28,29)14-5-3-4-12(10-14)19(25)23-17-7-2-1-6-15(17)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyXCEFVQCSURVGEG-UHFFFAOYSA-N
MW465.31 g/mol
LogP4.74
Rot. Bonds6

About 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid

2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid (PubChem CID 10183345) has the molecular formula C20H14Cl2N2O5S and a molecular weight of 465.31 g/mol. Its IUPAC name is 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
PubChem CID10183345
Molecular FormulaC20H14Cl2N2O5S
Molecular Weight465.31 g/mol
Exact Mass464.00
IUPAC Name2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H14Cl2N2O5S/c21-13-8-9-18(16(22)11-13)24-30(28,29)14-5-3-4-12(10-14)19(25)23-17-7-2-1-6-15(17)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyXCEFVQCSURVGEG-UHFFFAOYSA-N
XLogP4.74
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)sulfonylamino]benzamide
CID 158200671
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 135379015
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid (CID 10183345) is 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The InChIKey is XCEFVQCSURVGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O5S/c21-13-8-9-18(16(22)11-13)24-30(28,29)14-5-3-4-12(10-14)19(25)23-17-7-2-1-6-15(17)20(26)27/h1-11,24H,(H,23,25)(H,26,27).
What are the key properties of 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid has a molecular weight of 465.31 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 10183345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).