4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid

C15H15NO5S — CID 3862080

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO5S/c1-2-21-13-7-9-14(10-8-13)22(19,20)16-12-5-3-11(4-6-12)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)
InChIKeyDDTDMZUNVKCGKK-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.58
Rot. Bonds6

About 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid

4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 3862080) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
PubChem CID3862080
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO5S/c1-2-21-13-7-9-14(10-8-13)22(19,20)16-12-5-3-11(4-6-12)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)
InChIKeyDDTDMZUNVKCGKK-UHFFFAOYSA-N
XLogP2.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid (CID 3862080) is 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is DDTDMZUNVKCGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-2-21-13-7-9-14(10-8-13)22(19,20)16-12-5-3-11(4-6-12)15(17)18/h3-10,16H,2H2,1H3,(H,17,18).
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid?
4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 321.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 3862080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).