3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid

C14H12FNO5S — CID 671813

IUPAC3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO5S/c1-21-12-7-2-9(14(17)18)8-13(12)22(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)
InChIKeyBHQCRNXXUDLPHR-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.33
Rot. Bonds5

About 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid

3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid (PubChem CID 671813) has the molecular formula C14H12FNO5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
PubChem CID671813
Molecular FormulaC14H12FNO5S
Molecular Weight325.32 g/mol
Exact Mass325.04
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO5S/c1-21-12-7-2-9(14(17)18)8-13(12)22(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)
InChIKeyBHQCRNXXUDLPHR-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

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
4-Methoxy-3-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 2386064
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
3-[(4-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2329148
3-[(2-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2318420
4-[(4-methoxyphenyl)sulfamoyl]benzoic Acid
CID 2376812
3-Amino-4-phenoxy-5-sulfamoylbenzoic acid
CID 119927
Methyl 2-{[(3-fluoro-4-methoxyphenyl)sulfonyl]amino}benzoate
CID 6473058
2-{[(2,5-Dimethoxyphenyl)sulfonyl]amino}benzoic acid
CID 898080

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid (CID 671813) is 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
The InChIKey is BHQCRNXXUDLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5S/c1-21-12-7-2-9(14(17)18)8-13(12)22(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
3-[(4-fluorophenyl)sulfamoyl]-4-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 3-[(4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 671813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).