N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide

C15H20F3NO5S — CID 24511255

IUPACN-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCOCC1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO5S/c16-15(17,18)24-12-4-6-14(7-5-12)25(20,21)19-8-2-9-22-11-13-3-1-10-23-13/h4-7,13,19H,1-3,8-11H2
InChIKeyPWWXUDHSMHAANL-UHFFFAOYSA-N
MW383.39 g/mol
LogP2.45
Rot. Bonds9

About N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 24511255) has the molecular formula C15H20F3NO5S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID24511255
Molecular FormulaC15H20F3NO5S
Molecular Weight383.39 g/mol
Exact Mass383.10
IUPAC NameN-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCOCC1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO5S/c16-15(17,18)24-12-4-6-14(7-5-12)25(20,21)19-8-2-9-22-11-13-3-1-10-23-13/h4-7,13,19H,1-3,8-11H2
InChIKeyPWWXUDHSMHAANL-UHFFFAOYSA-N
XLogP2.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
3-N-[3-(oxolan-2-ylmethoxy)propyl]benzene-1,3-disulfonamide
CID 55512529
N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862396
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
CID 32955601
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 87032494
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 24511255) is N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCCOCC1CCCO1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PWWXUDHSMHAANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO5S/c16-15(17,18)24-12-4-6-14(7-5-12)25(20,21)19-8-2-9-22-11-13-3-1-10-23-13/h4-7,13,19H,1-3,8-11H2.
What are the key properties of N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 383.39 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 24511255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).