3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate

C20H15N2O5S- — CID 4100122

IUPAC3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
SMILESO=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C20H16N2O5S/c23-19(21-16-8-2-1-3-9-16)14-6-5-11-18(13-14)28(26,27)22-17-10-4-7-15(12-17)20(24)25/h1-13,22H,(H,21,23)(H,24,25)/p-1
InChIKeyABZSGEXLJUOXER-UHFFFAOYSA-M
MW395.42 g/mol
LogP2.10
Rot. Bonds6

About 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate

3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate (PubChem CID 4100122) has the molecular formula C20H15N2O5S- and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Name3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
PubChem CID4100122
Molecular FormulaC20H15N2O5S-
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
SMILESO=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C20H16N2O5S/c23-19(21-16-8-2-1-3-9-16)14-6-5-11-18(13-14)28(26,27)22-17-10-4-7-15(12-17)20(24)25/h1-13,22H,(H,21,23)(H,24,25)/p-1
InChIKeyABZSGEXLJUOXER-UHFFFAOYSA-M
XLogP2.10
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
barium(2+);bis(3-(phenylcarbamoyl)benzenesulfonate);hydrate
CID 2749173
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate?
The IUPAC name of 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate (CID 4100122) is 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate is O=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate?
The InChIKey is ABZSGEXLJUOXER-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16N2O5S/c23-19(21-16-8-2-1-3-9-16)14-6-5-11-18(13-14)28(26,27)22-17-10-4-7-15(12-17)20(24)25/h1-13,22H,(H,21,23)(H,24,25)/p-1.
What are the key properties of 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate?
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate has a molecular weight of 395.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 4100122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).