4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid

C15H13NO4S — CID 765496

IUPAC4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO4S/c17-15(18)13-6-8-14(9-7-13)16-21(19,20)11-10-12-4-2-1-3-5-12/h1-11,16H,(H,17,18)/b11-10+
InChIKeyKNCKFVUBJAWFPQ-ZHACJKMWSA-N
MW303.34 g/mol
LogP2.80
Rot. Bonds5

About 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid

4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid (PubChem CID 765496) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
PubChem CID765496
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO4S/c17-15(18)13-6-8-14(9-7-13)16-21(19,20)11-10-12-4-2-1-3-5-12/h1-11,16H,(H,17,18)/b11-10+
InChIKeyKNCKFVUBJAWFPQ-ZHACJKMWSA-N
XLogP2.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid (CID 765496) is 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
The InChIKey is KNCKFVUBJAWFPQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-15(18)13-6-8-14(9-7-13)16-21(19,20)11-10-12-4-2-1-3-5-12/h1-11,16H,(H,17,18)/b11-10+.
What are the key properties of 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 765496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).