4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid

C13H16FNO4S — CID 79187274

IUPAC4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCCC2)c(F)c1
InChIInChI=1S/C13H16FNO4S/c14-11-8-9(13(16)17)6-7-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17)
InChIKeyPXEFXCUSYHGFBB-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.13
Rot. Bonds4

About 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid

4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid (PubChem CID 79187274) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
PubChem CID79187274
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCCC2)c(F)c1
InChIInChI=1S/C13H16FNO4S/c14-11-8-9(13(16)17)6-7-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17)
InChIKeyPXEFXCUSYHGFBB-UHFFFAOYSA-N
XLogP2.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
3-fluoro-4-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79187645
3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
CID 104654330
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
3-fluoro-4-[[(1S,2R)-2-(trifluoromethyl)cyclohexyl]sulfamoyl]benzoic acid
CID 100631857
3-fluoro-4-[[(1R)-4-methylcyclohex-3-en-1-yl]sulfamoyl]benzoic acid
CID 166302985
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
3-amino-4-(cyclobutylsulfamoyl)benzoic acid
CID 81471279
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid (CID 79187274) is 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid is O=C(O)c1ccc(S(=O)(=O)NC2CCCCC2)c(F)c1.
What is the InChIKey of 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid?
The InChIKey is PXEFXCUSYHGFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-8-9(13(16)17)6-7-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17).
What are the key properties of 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid?
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid is sourced from PubChem (CID 79187274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).