2-(benzoylsulfamoyl)benzoic acid

C14H11NO5S — CID 54061842

IUPAC2-(benzoylsulfamoyl)benzoic acid
SMILESO=C(NS(=O)(=O)c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C14H11NO5S/c16-13(10-6-2-1-3-7-10)15-21(19,20)12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
InChIKeyMAGRFJCHFXFWOS-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.50
Rot. Bonds4

About 2-(benzoylsulfamoyl)benzoic acid

2-(benzoylsulfamoyl)benzoic acid (PubChem CID 54061842) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(benzoylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(benzoylsulfamoyl)benzoic acid
PubChem CID54061842
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name2-(benzoylsulfamoyl)benzoic acid
SMILESO=C(NS(=O)(=O)c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C14H11NO5S/c16-13(10-6-2-1-3-7-10)15-21(19,20)12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
InChIKeyMAGRFJCHFXFWOS-UHFFFAOYSA-N
XLogP1.50
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Sulfamoylbenzoic acid
CID 69436
2-(Hydroxysulfamoyl)benzoic acid
CID 23645548
2-(Benzylsulfamoyl)benzoic acid
CID 83379931
1,1,3-Trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid
CID 353793
3-Benzenesulfonamidobenzoic acid
CID 792201
3-[(2-Phenylethyl)sulfamoyl]benzoic acid
CID 2473940
4-[(4-Methylphenyl)sulfamoyl]benzoic acid
CID 2403526
4-[(3-Boronophenyl)sulfamoyl]benzoic acid
CID 52940008
2-[(Amidinoamino)sulfonyl]benzoic acid
CID 4159055
2-(Propylsulfamoyl)benzoic acid
CID 21497848
2-(Butylsulfamoyl)benzoic acid
CID 21542156
2-(Pentylsulfamoyl)benzoic acid
CID 68602550

Frequently Asked Questions

What is the IUPAC name of 2-(benzoylsulfamoyl)benzoic acid?
The IUPAC name of 2-(benzoylsulfamoyl)benzoic acid (CID 54061842) is 2-(benzoylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(benzoylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(benzoylsulfamoyl)benzoic acid is O=C(NS(=O)(=O)c1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(benzoylsulfamoyl)benzoic acid?
The InChIKey is MAGRFJCHFXFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5S/c16-13(10-6-2-1-3-7-10)15-21(19,20)12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18).
What are the key properties of 2-(benzoylsulfamoyl)benzoic acid?
2-(benzoylsulfamoyl)benzoic acid has a molecular weight of 305.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzoylsulfamoyl)benzoic acid is sourced from PubChem (CID 54061842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).