4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid

C14H18FNO4S — CID 79178105

IUPAC4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)C1C
InChIInChI=1S/C14H18FNO4S/c1-8-3-5-12(9(8)2)16-21(19,20)13-6-4-10(14(17)18)7-11(13)15/h4,6-9,12,16H,3,5H2,1-2H3,(H,17,18)
InChIKeyNBLIFJLEGKKEIQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.24
Rot. Bonds4

About 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid

4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid (PubChem CID 79178105) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
PubChem CID79178105
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)C1C
InChIInChI=1S/C14H18FNO4S/c1-8-3-5-12(9(8)2)16-21(19,20)13-6-4-10(14(17)18)7-11(13)15/h4,6-9,12,16H,3,5H2,1-2H3,(H,17,18)
InChIKeyNBLIFJLEGKKEIQ-UHFFFAOYSA-N
XLogP2.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
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-[(2-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 79177880
3-fluoro-4-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79187645
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
3-fluoro-4-[[(1R)-4-methylcyclohex-3-en-1-yl]sulfamoyl]benzoic acid
CID 166302985
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid (CID 79178105) is 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid is CC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid?
The InChIKey is NBLIFJLEGKKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-8-3-5-12(9(8)2)16-21(19,20)13-6-4-10(14(17)18)7-11(13)15/h4,6-9,12,16H,3,5H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid?
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid is sourced from PubChem (CID 79178105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).