5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid

C13H16FNO4S — CID 115591315

IUPAC5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
SMILESCC(CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1)C1CC1
InChIInChI=1S/C13H16FNO4S/c1-8(9-2-3-9)7-15-20(18,19)10-4-5-12(14)11(6-10)13(16)17/h4-6,8-9,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyOUYWAASQIMKUEC-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.85
Rot. Bonds6

About 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid

5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid (PubChem CID 115591315) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
PubChem CID115591315
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
SMILESCC(CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1)C1CC1
InChIInChI=1S/C13H16FNO4S/c1-8(9-2-3-9)7-15-20(18,19)10-4-5-12(14)11(6-10)13(16)17/h4-6,8-9,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyOUYWAASQIMKUEC-UHFFFAOYSA-N
XLogP1.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
CID 115591314
N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107651966
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-fluoro-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266428
2-fluoro-5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 104654829
2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
CID 104654715
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894
4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113475179
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid?
The IUPAC name of 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid (CID 115591315) is 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid is CC(CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1)C1CC1.
What is the InChIKey of 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid?
The InChIKey is OUYWAASQIMKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-8(9-2-3-9)7-15-20(18,19)10-4-5-12(14)11(6-10)13(16)17/h4-6,8-9,15H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid?
5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid has a molecular weight of 301.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid is sourced from PubChem (CID 115591315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).