2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid

C12H9Cl2NO5S — CID 2880064

IUPAC2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NO5S/c13-9-5-10(14)11(4-8(9)12(16)17)21(18,19)15-6-7-2-1-3-20-7/h1-5,15H,6H2,(H,16,17)
InChIKeyLTLCPKPWNLFQRV-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.76
Rot. Bonds5

About 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid

2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 2880064) has the molecular formula C12H9Cl2NO5S and a molecular weight of 350.18 g/mol. Its IUPAC name is 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid
PubChem CID2880064
Molecular FormulaC12H9Cl2NO5S
Molecular Weight350.18 g/mol
Exact Mass348.96
IUPAC Name2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NO5S/c13-9-5-10(14)11(4-8(9)12(16)17)21(18,19)15-6-7-2-1-3-20-7/h1-5,15H,6H2,(H,16,17)
InChIKeyLTLCPKPWNLFQRV-UHFFFAOYSA-N
XLogP2.76
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.76
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-(furan-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid (CID 2880064) is 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is LTLCPKPWNLFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO5S/c13-9-5-10(14)11(4-8(9)12(16)17)21(18,19)15-6-7-2-1-3-20-7/h1-5,15H,6H2,(H,16,17).
What are the key properties of 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid?
2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 350.18 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(furan-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2880064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).