4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid

C20H16N2O5S — CID 2221574

IUPAC4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16N2O5S/c23-19(21-16-4-2-1-3-5-16)14-8-12-18(13-9-14)28(26,27)22-17-10-6-15(7-11-17)20(24)25/h1-13,22H,(H,21,23)(H,24,25)
InChIKeyJGBAKZWHWXDPLR-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.44
Rot. Bonds6

About 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid

4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 2221574) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid
PubChem CID2221574
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16N2O5S/c23-19(21-16-4-2-1-3-5-16)14-8-12-18(13-9-14)28(26,27)22-17-10-6-15(7-11-17)20(24)25/h1-13,22H,(H,21,23)(H,24,25)
InChIKeyJGBAKZWHWXDPLR-UHFFFAOYSA-N
XLogP3.44
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid (CID 2221574) is 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is JGBAKZWHWXDPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c23-19(21-16-4-2-1-3-5-16)14-8-12-18(13-9-14)28(26,27)22-17-10-6-15(7-11-17)20(24)25/h1-13,22H,(H,21,23)(H,24,25).
What are the key properties of 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid?
4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 396.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 2221574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).