2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid

C15H14ClNO5S — CID 2440703

IUPAC2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C15H14ClNO5S/c16-14-7-6-12(10-13(14)15(18)19)23(20,21)17-8-9-22-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyDGQKUOHWKOMZIA-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.40
Rot. Bonds7

About 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid

2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid (PubChem CID 2440703) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid
PubChem CID2440703
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C15H14ClNO5S/c16-14-7-6-12(10-13(14)15(18)19)23(20,21)17-8-9-22-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyDGQKUOHWKOMZIA-UHFFFAOYSA-N
XLogP2.40
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid (CID 2440703) is 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid?
The InChIKey is DGQKUOHWKOMZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c16-14-7-6-12(10-13(14)15(18)19)23(20,21)17-8-9-22-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid?
2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid has a molecular weight of 355.80 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-phenoxyethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2440703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).