4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid

C15H12F3NO5S — CID 1332617

IUPAC4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO5S/c1-24-12-6-5-9(14(20)21)7-13(12)25(22,23)19-11-4-2-3-10(8-11)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeySDTYZUUKHZAHOI-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.21
Rot. Bonds5

About 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid

4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 1332617) has the molecular formula C15H12F3NO5S and a molecular weight of 375.32 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
PubChem CID1332617
Molecular FormulaC15H12F3NO5S
Molecular Weight375.32 g/mol
Exact Mass375.04
IUPAC Name4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO5S/c1-24-12-6-5-9(14(20)21)7-13(12)25(22,23)19-11-4-2-3-10(8-11)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeySDTYZUUKHZAHOI-UHFFFAOYSA-N
XLogP3.21
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.21
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
Erap2-IN-1
CID 85470736
4-Methoxy-3-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 2386064
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
Erap1-IN-1
CID 4798291
3-[(4-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2329148
4-[(4-methoxyphenyl)sulfamoyl]benzoic Acid
CID 2376812
3-Amino-4-phenoxy-5-sulfamoylbenzoic acid
CID 119927
Methyl 4-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}benzoate
CID 967912
4-Methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 2444051
4-Methoxy-3-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 3920847

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid (CID 1332617) is 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is SDTYZUUKHZAHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO5S/c1-24-12-6-5-9(14(20)21)7-13(12)25(22,23)19-11-4-2-3-10(8-11)15(16,17)18/h2-8,19H,1H3,(H,20,21).
What are the key properties of 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid?
4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 375.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 1332617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).