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

C13H18FNO4S — CID 43273627

IUPAC5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C13H18FNO4S/c1-4-15(8-9(2)3)20(18,19)10-5-6-12(14)11(7-10)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyIJWOJALAIMBVCU-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.19
Rot. Bonds6

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

5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid (PubChem CID 43273627) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
PubChem CID43273627
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Name5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C13H18FNO4S/c1-4-15(8-9(2)3)20(18,19)10-5-6-12(14)11(7-10)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyIJWOJALAIMBVCU-UHFFFAOYSA-N
XLogP2.19
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 43269326
2-[ethyl(2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919413
2-fluoro-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983001
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid
CID 155444287
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
[(1R)-1-(4-fluorophenyl)ethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7252993
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid (CID 43273627) is 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid is CCN(CC(C)C)S(=O)(=O)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid?
The InChIKey is IJWOJALAIMBVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-4-15(8-9(2)3)20(18,19)10-5-6-12(14)11(7-10)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid?
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid is sourced from PubChem (CID 43273627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).