N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide

C13H17F4NO3S — CID 161129597

IUPACN-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C13H17F4NO3S/c1-3-7-22(19,20)18-9(2)10-5-4-6-11(8-10)21-13(16,17)12(14)15/h4-6,8-9,12,18H,3,7H2,1-2H3
InChIKeyULZVZAQKEKJFPB-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.31
Rot. Bonds8

About N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide

N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide (PubChem CID 161129597) has the molecular formula C13H17F4NO3S and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
PubChem CID161129597
Molecular FormulaC13H17F4NO3S
Molecular Weight343.34 g/mol
Exact Mass343.09
IUPAC NameN-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C13H17F4NO3S/c1-3-7-22(19,20)18-9(2)10-5-4-6-11(8-10)21-13(16,17)12(14)15/h4-6,8-9,12,18H,3,7H2,1-2H3
InChIKeyULZVZAQKEKJFPB-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]sulfamoyl]propyl hypofluorite
CID 146353420
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
CID 171228220
N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
CID 61383811
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide (CID 161129597) is N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)c1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide?
The InChIKey is ULZVZAQKEKJFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO3S/c1-3-7-22(19,20)18-9(2)10-5-4-6-11(8-10)21-13(16,17)12(14)15/h4-6,8-9,12,18H,3,7H2,1-2H3.
What are the key properties of N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide?
N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide has a molecular weight of 343.34 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 161129597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).