2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid

C10H8Cl2F3NO4S — CID 63225908

IUPAC2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCCC(F)(F)F)c1Cl
InChIInChI=1S/C10H8Cl2F3NO4S/c11-5-3-6(9(17)18)8(12)7(4-5)21(19,20)16-2-1-10(13,14)15/h3-4,16H,1-2H2,(H,17,18)
InChIKeyKOAUOTUJKOOVLM-UHFFFAOYSA-N
MW366.14 g/mol
LogP2.92
Rot. Bonds5

About 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid

2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid (PubChem CID 63225908) has the molecular formula C10H8Cl2F3NO4S and a molecular weight of 366.14 g/mol. Its IUPAC name is 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
PubChem CID63225908
Molecular FormulaC10H8Cl2F3NO4S
Molecular Weight366.14 g/mol
Exact Mass364.95
IUPAC Name2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCCC(F)(F)F)c1Cl
InChIInChI=1S/C10H8Cl2F3NO4S/c11-5-3-6(9(17)18)8(12)7(4-5)21(19,20)16-2-1-10(13,14)15/h3-4,16H,1-2H2,(H,17,18)
InChIKeyKOAUOTUJKOOVLM-UHFFFAOYSA-N
XLogP2.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.14
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
The IUPAC name of 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid (CID 63225908) is 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
The canonical SMILES for 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid is O=C(O)c1cc(Cl)cc(S(=O)(=O)NCCC(F)(F)F)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
The InChIKey is KOAUOTUJKOOVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO4S/c11-5-3-6(9(17)18)8(12)7(4-5)21(19,20)16-2-1-10(13,14)15/h3-4,16H,1-2H2,(H,17,18).
What are the key properties of 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid has a molecular weight of 366.14 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid is sourced from PubChem (CID 63225908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).