3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid

C14H18FNO4S — CID 81389280

IUPAC3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1F)C1CCCC1
InChIInChI=1S/C14H18FNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)13-8-11(14(17)18)6-7-12(13)15/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyRKTJCSIRECOAPQ-SECBINFHSA-N
MW315.37 g/mol
LogP2.38
Rot. Bonds5

About 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid

3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid (PubChem CID 81389280) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
PubChem CID81389280
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1F)C1CCCC1
InChIInChI=1S/C14H18FNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)13-8-11(14(17)18)6-7-12(13)15/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyRKTJCSIRECOAPQ-SECBINFHSA-N
XLogP2.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
4-fluoro-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43084932
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473
3-[[[(1R)-1-cyclopentylethyl]amino]methyl]-4-fluorobenzoic acid
CID 107453171
5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65396118
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
3-bromo-5-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 81488528
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid?
The IUPAC name of 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid (CID 81389280) is 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid?
The canonical SMILES for 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid is C[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1F)C1CCCC1.
What is the InChIKey of 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid?
The InChIKey is RKTJCSIRECOAPQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)13-8-11(14(17)18)6-7-12(13)15/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid?
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid is sourced from PubChem (CID 81389280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).