5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid

C13H19NO5S — CID 43273626

IUPAC5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-4-14(8-9(2)3)20(18,19)10-5-6-12(15)11(7-10)13(16)17/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyIMBNDAXMPDPVNJ-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.76
Rot. Bonds6

About 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid

5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 43273626) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID43273626
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-4-14(8-9(2)3)20(18,19)10-5-6-12(15)11(7-10)13(16)17/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyIMBNDAXMPDPVNJ-UHFFFAOYSA-N
XLogP1.76
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711
5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
CID 63697925
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983665
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
2-[ethyl(2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919413
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]benzoic acid
CID 115985512
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid (CID 43273626) is 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid is CCN(CC(C)C)S(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is IMBNDAXMPDPVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-4-14(8-9(2)3)20(18,19)10-5-6-12(15)11(7-10)13(16)17/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 43273626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).