4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid

C16H17NO5S — CID 2375911

IUPAC4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C16H17NO5S/c1-22-14-8-7-13(16(18)19)11-15(14)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyPVPWYMRKNHIOOX-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.91
Rot. Bonds7

About 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid

4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid (PubChem CID 2375911) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid
PubChem CID2375911
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C16H17NO5S/c1-22-14-8-7-13(16(18)19)11-15(14)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyPVPWYMRKNHIOOX-UHFFFAOYSA-N
XLogP1.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid (CID 2375911) is 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid?
The InChIKey is PVPWYMRKNHIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-22-14-8-7-13(16(18)19)11-15(14)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid?
4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid has a molecular weight of 335.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-phenylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2375911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).