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

C19H22F3NO3S — CID 10222674

IUPACN-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H22F3NO3S/c1-13(2)27(24,25)23-12-14(3)26-16-10-8-15(9-11-16)17-6-4-5-7-18(17)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyLRONOKOKNYLSMA-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.47
Rot. Bonds7

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

N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide (PubChem CID 10222674) has the molecular formula C19H22F3NO3S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
PubChem CID10222674
Molecular FormulaC19H22F3NO3S
Molecular Weight401.45 g/mol
Exact Mass401.13
IUPAC NameN-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H22F3NO3S/c1-13(2)27(24,25)23-12-14(3)26-16-10-8-15(9-11-16)17-6-4-5-7-18(17)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3
InChIKeyLRONOKOKNYLSMA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide (CID 10222674) is N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The InChIKey is LRONOKOKNYLSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3S/c1-13(2)27(24,25)23-12-14(3)26-16-10-8-15(9-11-16)17-6-4-5-7-18(17)19(20,21)22/h4-11,13-14,23H,12H2,1-3H3.
What are the key properties of N-[2-[4-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
N-[2-[4-[2-(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-[2-(trifluoromethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10222674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).