2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid

C9H7Cl2F2NO4S — CID 115405532

IUPAC2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2F2NO4S/c10-5-2-6(11)7(1-4(5)9(15)16)19(17,18)14-3-8(12)13/h1-2,8,14H,3H2,(H,15,16)
InChIKeyFGWYVEWOSYBJED-UHFFFAOYSA-N
MW334.13 g/mol
LogP2.23
Rot. Bonds5

About 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid

2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid (PubChem CID 115405532) has the molecular formula C9H7Cl2F2NO4S and a molecular weight of 334.13 g/mol. Its IUPAC name is 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
PubChem CID115405532
Molecular FormulaC9H7Cl2F2NO4S
Molecular Weight334.13 g/mol
Exact Mass332.94
IUPAC Name2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2F2NO4S/c10-5-2-6(11)7(1-4(5)9(15)16)19(17,18)14-3-8(12)13/h1-2,8,14H,3H2,(H,15,16)
InChIKeyFGWYVEWOSYBJED-UHFFFAOYSA-N
XLogP2.23
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
CID 66170591
2,4-dichloro-5-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656139
2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65107865
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(3,3-dimethylbutylsulfamoyl)benzoic acid
CID 115581011
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65108091
2,4-dichloro-5-(thiolan-2-ylmethylsulfamoyl)benzoic acid
CID 80583828
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 43081929

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid (CID 115405532) is 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCC(F)F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid?
The InChIKey is FGWYVEWOSYBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F2NO4S/c10-5-2-6(11)7(1-4(5)9(15)16)19(17,18)14-3-8(12)13/h1-2,8,14H,3H2,(H,15,16).
What are the key properties of 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid?
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid has a molecular weight of 334.13 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid is sourced from PubChem (CID 115405532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).