N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide

C19H22F3NO3S — CID 10294468

IUPACN-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H22F3NO3S/c1-13(2)27(24,25)23-12-14(3)26-18-9-7-15(8-10-18)16-5-4-6-17(11-16)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyHLTYPSGMEXNATK-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.47
Rot. Bonds7

About N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide

N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide (PubChem CID 10294468) has the molecular formula C19H22F3NO3S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
PubChem CID10294468
Molecular FormulaC19H22F3NO3S
Molecular Weight401.45 g/mol
Exact Mass401.13
IUPAC NameN-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H22F3NO3S/c1-13(2)27(24,25)23-12-14(3)26-18-9-7-15(8-10-18)16-5-4-6-17(11-16)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyHLTYPSGMEXNATK-UHFFFAOYSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Trimethyl-N-(2,2,2-trifluoro-1-phenoxymethylethyl)-benzenesulfonamide
CID 25168896
N-[2-[[(7R,8R)-7-(aminomethyl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]ethanesulfonamide
CID 71041881
N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide
CID 2317140
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 56765490
2,4,6-trimethyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 8401563
4-ethyl-N-(2-(4-fluorophenoxy)ethyl)benzenesulfonamide
CID 2229969
3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide
CID 16884360
3-(4-fluorophenoxy)-N-(3-methoxyphenethyl)propane-1-sulfonamide
CID 16884367
N-(2-(4-fluorophenoxy)ethyl)-1-phenylmethanesulfonamide
CID 30867091
N-(2-(3,5-dimethylphenoxy)ethyl)-4-fluorobenzenesulfonamide
CID 30867121
N-(2-(3,5-dimethylphenoxy)ethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 30867123
N-(2-(3,5-dimethylphenoxy)ethyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 30867131

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide (CID 10294468) is N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The InChIKey is HLTYPSGMEXNATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3S/c1-13(2)27(24,25)23-12-14(3)26-18-9-7-15(8-10-18)16-5-4-6-17(11-16)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3.
What are the key properties of N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide has a molecular weight of 401.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10294468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).