2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid

C11H13Cl2NO5S — CID 65107865

IUPAC2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO5S/c1-11(2,17)5-14-20(18,19)9-3-6(10(15)16)7(12)4-8(9)13/h3-4,14,17H,5H2,1-2H3,(H,15,16)
InChIKeyYROUOGRDUDZHTF-UHFFFAOYSA-N
MW342.20 g/mol
LogP1.74
Rot. Bonds5

About 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid

2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid (PubChem CID 65107865) has the molecular formula C11H13Cl2NO5S and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
PubChem CID65107865
Molecular FormulaC11H13Cl2NO5S
Molecular Weight342.20 g/mol
Exact Mass340.99
IUPAC Name2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO5S/c1-11(2,17)5-14-20(18,19)9-3-6(10(15)16)7(12)4-8(9)13/h3-4,14,17H,5H2,1-2H3,(H,15,16)
InChIKeyYROUOGRDUDZHTF-UHFFFAOYSA-N
XLogP1.74
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65108091
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-(3,3-dimethylbutylsulfamoyl)benzoic acid
CID 115581011
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
2,4-dichloro-5-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656139
2,4-dichloro-5-(3-hydroxy-3-methylbutyl)sulfonylbenzoic acid
CID 79354760
2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
CID 66170591
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
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-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid (CID 65107865) is 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid is CC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
The InChIKey is YROUOGRDUDZHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO5S/c1-11(2,17)5-14-20(18,19)9-3-6(10(15)16)7(12)4-8(9)13/h3-4,14,17H,5H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid has a molecular weight of 342.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 65107865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).