2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid

C13H19NO5S — CID 63983665

IUPAC2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-5-13(2,3)14(4)20(18,19)9-6-7-11(15)10(8-9)12(16)17/h6-8,15H,5H2,1-4H3,(H,16,17)
InChIKeySPDOMOXNHKBLTM-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.90
Rot. Bonds5

About 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid

2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid (PubChem CID 63983665) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
PubChem CID63983665
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-5-13(2,3)14(4)20(18,19)9-6-7-11(15)10(8-9)12(16)17/h6-8,15H,5H2,1-4H3,(H,16,17)
InChIKeySPDOMOXNHKBLTM-UHFFFAOYSA-N
XLogP1.90
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983001
4-hydroxy-N-methyl-N-(2-methylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 63958971
5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
2-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]benzoic acid
CID 115985512
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
CID 54876183
2-hydroxy-5-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610875
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682
2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid
CID 57476934
acetic acid;2-hydroxy-5-sulfobenzoic acid;propanoic acid
CID 161008670
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
4-ethyl-3-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63981719
3-[3-[methyl(2-methylbutan-2-yl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76996682

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid (CID 63983665) is 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid is CCC(C)(C)N(C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is SPDOMOXNHKBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-5-13(2,3)14(4)20(18,19)9-6-7-11(15)10(8-9)12(16)17/h6-8,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid?
2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63983665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).