5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid

C13H19NO5S — CID 104827574

IUPAC5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid
SMILESCC(NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)C(C)(C)C
InChIInChI=1S/C13H19NO5S/c1-8(13(2,3)4)14-20(18,19)9-5-6-11(15)10(7-9)12(16)17/h5-8,14-15H,1-4H3,(H,16,17)
InChIKeyWTSCEBJZXQHVJW-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.80
Rot. Bonds4

About 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid

5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid (PubChem CID 104827574) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid
PubChem CID104827574
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid
SMILESCC(NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)C(C)(C)C
InChIInChI=1S/C13H19NO5S/c1-8(13(2,3)4)14-20(18,19)9-5-6-11(15)10(7-9)12(16)17/h5-8,14-15H,1-4H3,(H,16,17)
InChIKeyWTSCEBJZXQHVJW-UHFFFAOYSA-N
XLogP1.80
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827566
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281481
2-hydroxy-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208820
2,5-dichloro-3-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827579
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid (CID 104827574) is 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid is CC(NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is WTSCEBJZXQHVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-8(13(2,3)4)14-20(18,19)9-5-6-11(15)10(7-9)12(16)17/h5-8,14-15H,1-4H3,(H,16,17).
What are the key properties of 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid?
5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 104827574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).