4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide

C16H22F3NO4S — CID 87032494

IUPAC4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCC(F)(F)F)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H22F3NO4S/c17-16(18,19)12-23-11-3-10-20-25(21,22)15-8-6-14(7-9-15)24-13-4-1-2-5-13/h6-9,13,20H,1-5,10-12H2
InChIKeyHABXIZZXHUOREM-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.26
Rot. Bonds9

About 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide

4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide (PubChem CID 87032494) has the molecular formula C16H22F3NO4S and a molecular weight of 381.42 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
PubChem CID87032494
Molecular FormulaC16H22F3NO4S
Molecular Weight381.42 g/mol
Exact Mass381.12
IUPAC Name4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCC(F)(F)F)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H22F3NO4S/c17-16(18,19)12-23-11-3-10-20-25(21,22)15-8-6-14(7-9-15)24-13-4-1-2-5-13/h6-9,13,20H,1-5,10-12H2
InChIKeyHABXIZZXHUOREM-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.26
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

4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 110408180
4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098678
4-cyclopentyloxy-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605334
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
CID 110731903
N-[2-[(4-cyclopentyloxyphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053247
N-[(4-chlorophenyl)methyl]-4-cyclopentyloxybenzenesulfonamide
CID 113098120
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
4-cyclopentyloxy-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110646346
4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 110642380
4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397987

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide (CID 87032494) is 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide is O=S(=O)(NCCCOCC(F)(F)F)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide?
The InChIKey is HABXIZZXHUOREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO4S/c17-16(18,19)12-23-11-3-10-20-25(21,22)15-8-6-14(7-9-15)24-13-4-1-2-5-13/h6-9,13,20H,1-5,10-12H2.
What are the key properties of 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide?
4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide has a molecular weight of 381.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 87032494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).