2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid

C13H17NO5S — CID 69290489

IUPAC2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
SMILESCCNS(=O)(=O)c1ccc(OC2CCC2)c(C(=O)O)c1
InChIInChI=1S/C13H17NO5S/c1-2-14-20(17,18)10-6-7-12(11(8-10)13(15)16)19-9-4-3-5-9/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyYMFUKFXHQBHRMS-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.61
Rot. Bonds6

About 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid

2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid (PubChem CID 69290489) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
PubChem CID69290489
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
SMILESCCNS(=O)(=O)c1ccc(OC2CCC2)c(C(=O)O)c1
InChIInChI=1S/C13H17NO5S/c1-2-14-20(17,18)10-6-7-12(11(8-10)13(15)16)19-9-4-3-5-9/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyYMFUKFXHQBHRMS-UHFFFAOYSA-N
XLogP1.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
CID 61379309
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
CID 82903335
2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604
2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 104654511
2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
2-cyclopentyloxy-5-iodobenzoic acid
CID 82995934
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
2-ethoxy-5-(pentylsulfamoyl)benzoic acid
CID 43327811
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid?
The IUPAC name of 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid (CID 69290489) is 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid is CCNS(=O)(=O)c1ccc(OC2CCC2)c(C(=O)O)c1.
What is the InChIKey of 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid?
The InChIKey is YMFUKFXHQBHRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-2-14-20(17,18)10-6-7-12(11(8-10)13(15)16)19-9-4-3-5-9/h6-9,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid?
2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid is sourced from PubChem (CID 69290489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).