4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C14H20FNO4S — CID 110300909

IUPAC4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO4S/c1-19-9-8-16-21(17,18)12-6-7-14(13(15)10-12)20-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyJBMCNQKPZGPLGM-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.07
Rot. Bonds7

About 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide

4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 110300909) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID110300909
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO4S/c1-19-9-8-16-21(17,18)12-6-7-14(13(15)10-12)20-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyJBMCNQKPZGPLGM-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312227
2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814318
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758209
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 28716684
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 107650446
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 110300909) is 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(OC2CCCC2)c(F)c1.
What is the InChIKey of 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is JBMCNQKPZGPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-19-9-8-16-21(17,18)12-6-7-14(13(15)10-12)20-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9H2,1H3.
What are the key properties of 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 317.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 110300909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).