5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid

C14H12FNO5S — CID 56812258

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O
InChIInChI=1S/C14H12FNO5S/c1-21-13-7-6-9(8-10(13)14(17)18)22(19,20)16-12-5-3-2-4-11(12)15/h2-8,16H,1H3,(H,17,18)
InChIKeyPXLHCKJPVOCMFI-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.33
Rot. Bonds5

About 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid

5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 56812258) has the molecular formula C14H12FNO5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID56812258
Molecular FormulaC14H12FNO5S
Molecular Weight325.32 g/mol
Exact Mass325.04
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O
InChIInChI=1S/C14H12FNO5S/c1-21-13-7-6-9(8-10(13)14(17)18)22(19,20)16-12-5-3-2-4-11(12)15/h2-8,16H,1H3,(H,17,18)
InChIKeyPXLHCKJPVOCMFI-UHFFFAOYSA-N
XLogP2.33
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid
CID 103962204
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56798970
3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 28718355
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid (CID 56812258) is 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is PXLHCKJPVOCMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5S/c1-21-13-7-6-9(8-10(13)14(17)18)22(19,20)16-12-5-3-2-4-11(12)15/h2-8,16H,1H3,(H,17,18).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 325.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 56812258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).