2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid

C21H17ClN2O5S — CID 1119036

IUPAC2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl
InChIInChI=1S/C21H17ClN2O5S/c22-18-11-10-15(30(28,29)23-13-14-6-2-1-3-7-14)12-17(18)20(25)24-19-9-5-4-8-16(19)21(26)27/h1-12,23H,13H2,(H,24,25)(H,26,27)
InChIKeyXICHCUQWGXHIOL-UHFFFAOYSA-N
MW444.90 g/mol
LogP3.77
Rot. Bonds7

About 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid

2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid (PubChem CID 1119036) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid
PubChem CID1119036
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC Name2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl
InChIInChI=1S/C21H17ClN2O5S/c22-18-11-10-15(30(28,29)23-13-14-6-2-1-3-7-14)12-17(18)20(25)24-19-9-5-4-8-16(19)21(26)27/h1-12,23H,13H2,(H,24,25)(H,26,27)
InChIKeyXICHCUQWGXHIOL-UHFFFAOYSA-N
XLogP3.77
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid (CID 1119036) is 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl.
What is the InChIKey of 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid?
The InChIKey is XICHCUQWGXHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c22-18-11-10-15(30(28,29)23-13-14-6-2-1-3-7-14)12-17(18)20(25)24-19-9-5-4-8-16(19)21(26)27/h1-12,23H,13H2,(H,24,25)(H,26,27).
What are the key properties of 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid?
2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid has a molecular weight of 444.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzylsulfamoyl)-2-chlorobenzoyl]amino]benzoic acid is sourced from PubChem (CID 1119036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).