N-(2-cyclopentyloxyethyl)benzenesulfonamide

C13H19NO3S — CID 61060137

IUPACN-(2-cyclopentyloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCCC1)c1ccccc1
InChIInChI=1S/C13H19NO3S/c15-18(16,13-8-2-1-3-9-13)14-10-11-17-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyHNUHEYLEGQMLQI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.92
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)benzenesulfonamide

N-(2-cyclopentyloxyethyl)benzenesulfonamide (PubChem CID 61060137) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)benzenesulfonamide
PubChem CID61060137
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-cyclopentyloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCCC1)c1ccccc1
InChIInChI=1S/C13H19NO3S/c15-18(16,13-8-2-1-3-9-13)14-10-11-17-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyHNUHEYLEGQMLQI-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-(2-cyclohexyloxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 63829030
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043
cyclohexyl 2-(benzenesulfonamido)acetate
CID 4983511
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)benzenesulfonamide (CID 61060137) is N-(2-cyclopentyloxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)benzenesulfonamide is O=S(=O)(NCCOC1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)benzenesulfonamide?
The InChIKey is HNUHEYLEGQMLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c15-18(16,13-8-2-1-3-9-13)14-10-11-17-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2.
What are the key properties of N-(2-cyclopentyloxyethyl)benzenesulfonamide?
N-(2-cyclopentyloxyethyl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)benzenesulfonamide is sourced from PubChem (CID 61060137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).