5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid

C12H15ClFNO5S — CID 106120582

IUPAC5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid
SMILESCC(O)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C12H15ClFNO5S/c1-7(16)3-2-4-15-21(19,20)10-6-8(13)5-9(11(10)14)12(17)18/h5-7,15-16H,2-4H2,1H3,(H,17,18)
InChIKeyFEWJFINZBPWWBZ-UHFFFAOYSA-N
MW339.77 g/mol
LogP1.62
Rot. Bonds7

About 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid

5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid (PubChem CID 106120582) has the molecular formula C12H15ClFNO5S and a molecular weight of 339.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid
PubChem CID106120582
Molecular FormulaC12H15ClFNO5S
Molecular Weight339.77 g/mol
Exact Mass339.03
IUPAC Name5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid
SMILESCC(O)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C12H15ClFNO5S/c1-7(16)3-2-4-15-21(19,20)10-6-8(13)5-9(11(10)14)12(17)18/h5-7,15-16H,2-4H2,1H3,(H,17,18)
InChIKeyFEWJFINZBPWWBZ-UHFFFAOYSA-N
XLogP1.62
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-3-(4-methylpentylsulfamoyl)benzoic acid
CID 61044021
2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120585
5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid
CID 43498357
3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid
CID 43141064
5-chloro-3-(2,2-dimethoxyethylsulfamoyl)-2-fluorobenzoic acid
CID 79538524
2-chloro-3-fluoro-5-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120518
5-chloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-fluorobenzoic acid
CID 43310943
5-chloro-2-fluoro-3-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65105646
5-chloro-2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]benzoic acid
CID 79236454
3-fluoro-4-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120547
3-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120528
3-(butylsulfamoyl)-2,5-dichlorobenzoic acid
CID 43514496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid (CID 106120582) is 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid is CC(O)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
The InChIKey is FEWJFINZBPWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO5S/c1-7(16)3-2-4-15-21(19,20)10-6-8(13)5-9(11(10)14)12(17)18/h5-7,15-16H,2-4H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid has a molecular weight of 339.77 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid is sourced from PubChem (CID 106120582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).