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

C15H13Cl2NO4S — CID 2368812

IUPAC2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-2-18(10-6-4-3-5-7-10)23(21,22)14-8-11(15(19)20)12(16)9-13(14)17/h3-9H,2H2,1H3,(H,19,20)
InChIKeyCORSFTBSWCQVSQ-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.91
Rot. Bonds5

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

2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 2368812) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
PubChem CID2368812
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-2-18(10-6-4-3-5-7-10)23(21,22)14-8-11(15(19)20)12(16)9-13(14)17/h3-9H,2H2,1H3,(H,19,20)
InChIKeyCORSFTBSWCQVSQ-UHFFFAOYSA-N
XLogP3.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid (CID 2368812) is 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is CORSFTBSWCQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-2-18(10-6-4-3-5-7-10)23(21,22)14-8-11(15(19)20)12(16)9-13(14)17/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 374.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2368812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).