2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid

C16H15Cl2NO5S — CID 2119414

IUPAC2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO5S/c1-24-11-4-2-10(3-5-11)6-7-19-25(22,23)15-8-12(16(20)21)13(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyGTIRTRWMHRGQSY-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.22
Rot. Bonds7

About 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid

2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid (PubChem CID 2119414) has the molecular formula C16H15Cl2NO5S and a molecular weight of 404.27 g/mol. Its IUPAC name is 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
PubChem CID2119414
Molecular FormulaC16H15Cl2NO5S
Molecular Weight404.27 g/mol
Exact Mass403.00
IUPAC Name2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO5S/c1-24-11-4-2-10(3-5-11)6-7-19-25(22,23)15-8-12(16(20)21)13(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyGTIRTRWMHRGQSY-UHFFFAOYSA-N
XLogP3.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.22
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-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid (CID 2119414) is 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid is COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The InChIKey is GTIRTRWMHRGQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S/c1-24-11-4-2-10(3-5-11)6-7-19-25(22,23)15-8-12(16(20)21)13(17)9-14(15)18/h2-5,8-9,19H,6-7H2,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid has a molecular weight of 404.27 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 2119414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).