4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid

C13H16FNO5S — CID 65105759

IUPAC4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H16FNO5S/c14-10-4-3-9(12(16)17)7-11(10)21(19,20)15-8-13(18)5-1-2-6-13/h3-4,7,15,18H,1-2,5-6,8H2,(H,16,17)
InChIKeyQODSGEZPTBYQHI-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.11
Rot. Bonds5

About 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid

4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid (PubChem CID 65105759) has the molecular formula C13H16FNO5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
PubChem CID65105759
Molecular FormulaC13H16FNO5S
Molecular Weight317.34 g/mol
Exact Mass317.07
IUPAC Name4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H16FNO5S/c14-10-4-3-9(12(16)17)7-11(10)21(19,20)15-8-13(18)5-1-2-6-13/h3-4,7,15,18H,1-2,5-6,8H2,(H,16,17)
InChIKeyQODSGEZPTBYQHI-UHFFFAOYSA-N
XLogP1.11
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
3-amino-4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 81457711
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-3-methoxybenzoic acid
CID 102695513
4-fluoro-3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 107452977
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553
4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 102931325
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65110234
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 116530422
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid (CID 65105759) is 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid is O=C(O)c1ccc(F)c(S(=O)(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
The InChIKey is QODSGEZPTBYQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5S/c14-10-4-3-9(12(16)17)7-11(10)21(19,20)15-8-13(18)5-1-2-6-13/h3-4,7,15,18H,1-2,5-6,8H2,(H,16,17).
What are the key properties of 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 65105759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).