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

C12H15Cl2NO5S — CID 65108091

IUPAC2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
SMILESCCC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO5S/c1-3-12(2,18)6-15-21(19,20)10-4-7(11(16)17)8(13)5-9(10)14/h4-5,15,18H,3,6H2,1-2H3,(H,16,17)
InChIKeySLQNHKJBCMDXEX-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.13
Rot. Bonds6

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

2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid (PubChem CID 65108091) has the molecular formula C12H15Cl2NO5S and a molecular weight of 356.23 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
PubChem CID65108091
Molecular FormulaC12H15Cl2NO5S
Molecular Weight356.23 g/mol
Exact Mass355.00
IUPAC Name2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
SMILESCCC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO5S/c1-3-12(2,18)6-15-21(19,20)10-4-7(11(16)17)8(13)5-9(10)14/h4-5,15,18H,3,6H2,1-2H3,(H,16,17)
InChIKeySLQNHKJBCMDXEX-UHFFFAOYSA-N
XLogP2.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65107865
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
5-chloro-2-fluoro-3-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65105646
2,4-dichloro-5-(3,3-dimethylbutylsulfamoyl)benzoic acid
CID 115581011
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
2,4-dichloro-5-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656139
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
3,4-difluoro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 105114768

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid (CID 65108091) is 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid is CCC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid?
The InChIKey is SLQNHKJBCMDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO5S/c1-3-12(2,18)6-15-21(19,20)10-4-7(11(16)17)8(13)5-9(10)14/h4-5,15,18H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid has a molecular weight of 356.23 g/mol, XLogP of 2.13, 6 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-methylbutyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 65108091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).