5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid

C10H12FNO4S — CID 68676666

IUPAC5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H12FNO4S/c1-6(2)12-17(15,16)9-4-3-7(11)5-8(9)10(13)14/h3-6,12H,1-2H3,(H,13,14)
InChIKeyJZARDECGCUIOIO-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.21
Rot. Bonds4

About 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid

5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid (PubChem CID 68676666) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid
PubChem CID68676666
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H12FNO4S/c1-6(2)12-17(15,16)9-4-3-7(11)5-8(9)10(13)14/h3-6,12H,1-2H3,(H,13,14)
InChIKeyJZARDECGCUIOIO-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
CID 51097293
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
5-(2,2-dimethylpropanoyl)-2,4-difluoro-N-propan-2-ylbenzenesulfonamide
CID 58961087
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188165
4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 38920434
4-fluoro-2-methylsulfonylbenzoic acid
CID 54524852
(2S)-2-[(4-fluoro-2-nitrophenyl)sulfonylamino]propanoic acid
CID 29285627
5-fluoro-2-(4-oxobutan-2-yl)benzoic acid
CID 117300012
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid (CID 68676666) is 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid is CC(C)NS(=O)(=O)c1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid?
The InChIKey is JZARDECGCUIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-6(2)12-17(15,16)9-4-3-7(11)5-8(9)10(13)14/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid?
5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid has a molecular weight of 261.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(propan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 68676666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).