2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid

C15H13Cl2NO5S — CID 2368808

IUPAC2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-2-23-10-5-3-9(4-6-10)18-24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyUBECYVCXPYMEHH-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.89
Rot. Bonds6

About 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid

2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2368808) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2368808
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC Name2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-2-23-10-5-3-9(4-6-10)18-24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyUBECYVCXPYMEHH-UHFFFAOYSA-N
XLogP3.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid (CID 2368808) is 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is UBECYVCXPYMEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-2-23-10-5-3-9(4-6-10)18-24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8,18H,2H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 390.24 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2368808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).