2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid

C14H19NO5S — CID 61379309

IUPAC2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(OC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H19NO5S/c1-15(2)21(18,19)11-7-8-13(12(9-11)14(16)17)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyFHZCNVXXQAJGOR-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.96
Rot. Bonds5

About 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid

2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid (PubChem CID 61379309) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
PubChem CID61379309
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(OC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H19NO5S/c1-15(2)21(18,19)11-7-8-13(12(9-11)14(16)17)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyFHZCNVXXQAJGOR-UHFFFAOYSA-N
XLogP1.96
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
CID 69290489
2-cyclopentyloxy-5-iodobenzoic acid
CID 82995934
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110406
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
5-amino-2-(3-hydroxycyclohexyl)oxybenzoic acid
CID 117096010
5-fluoro-2-(3-methylsulfonylcyclohexyl)oxybenzoic acid
CID 115297907
2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
CID 60661669
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
cyclododecyl 4-(dimethylsulfamoyl)benzoate
CID 5032612
5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 60702313

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid (CID 61379309) is 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid is CN(C)S(=O)(=O)c1ccc(OC2CCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid?
The InChIKey is FHZCNVXXQAJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-15(2)21(18,19)11-7-8-13(12(9-11)14(16)17)20-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid?
2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 61379309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).