5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide

C13H18F2N2O3S — CID 65022454

IUPAC5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NCCOC2CCCC2)c1
InChIInChI=1S/C13H18F2N2O3S/c14-11-7-9(16)8-12(13(11)15)21(18,19)17-5-6-20-10-3-1-2-4-10/h7-8,10,17H,1-6,16H2
InChIKeyUKPYNQRXEHPRAN-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.78
Rot. Bonds6

About 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide

5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide (PubChem CID 65022454) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
PubChem CID65022454
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NCCOC2CCCC2)c1
InChIInChI=1S/C13H18F2N2O3S/c14-11-7-9(16)8-12(13(11)15)21(18,19)17-5-6-20-10-3-1-2-4-10/h7-8,10,17H,1-6,16H2
InChIKeyUKPYNQRXEHPRAN-UHFFFAOYSA-N
XLogP1.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide (CID 65022454) is 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)NCCOC2CCCC2)c1.
What is the InChIKey of 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is UKPYNQRXEHPRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c14-11-7-9(16)8-12(13(11)15)21(18,19)17-5-6-20-10-3-1-2-4-10/h7-8,10,17H,1-6,16H2.
What are the key properties of 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide has a molecular weight of 320.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65022454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).