2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid

C13H19NO5S — CID 43141079

IUPAC2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-4-5-9(2)14-20(17,18)10-6-7-12(19-3)11(8-10)13(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyZBTLMISYTBUOFL-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.86
Rot. Bonds7

About 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid

2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid (PubChem CID 43141079) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
PubChem CID43141079
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-4-5-9(2)14-20(17,18)10-6-7-12(19-3)11(8-10)13(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyZBTLMISYTBUOFL-UHFFFAOYSA-N
XLogP1.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372088
5-[[(1R)-1-carboxy-2-methylpropyl]sulfamoyl]-2-methoxybenzoic acid
CID 97032269
2-methoxy-5-pentan-2-ylsulfonylbenzoic acid
CID 107890465
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
CID 146133028
5-(1-hydroxypropan-2-ylsulfamoyl)-2-propoxybenzoic acid
CID 43499085
5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99987086
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651451
5-[(1-carboxy-3-methylsulfanylpropyl)sulfamoyl]-2-methoxybenzoic acid
CID 102552943

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid (CID 43141079) is 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid is CCCC(C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid?
The InChIKey is ZBTLMISYTBUOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-4-5-9(2)14-20(17,18)10-6-7-12(19-3)11(8-10)13(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid?
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43141079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).