N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

C15H13F5N2O3S — CID 167823629

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13F5N2O3S/c1-9(10-3-2-4-12(7-10)25-14(16)17)22-26(23,24)13-6-5-11(8-21-13)15(18,19)20/h2-9,14,22H,1H3
InChIKeyFCINYRKWKKMICZ-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.74
Rot. Bonds6

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 167823629) has the molecular formula C15H13F5N2O3S and a molecular weight of 396.34 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID167823629
Molecular FormulaC15H13F5N2O3S
Molecular Weight396.34 g/mol
Exact Mass396.06
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13F5N2O3S/c1-9(10-3-2-4-12(7-10)25-14(16)17)22-26(23,24)13-6-5-11(8-21-13)15(18,19)20/h2-9,14,22H,1H3
InChIKeyFCINYRKWKKMICZ-UHFFFAOYSA-N
XLogP3.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79561039
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
CID 161129597
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55715513

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 167823629) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is CC(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is FCINYRKWKKMICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N2O3S/c1-9(10-3-2-4-12(7-10)25-14(16)17)22-26(23,24)13-6-5-11(8-21-13)15(18,19)20/h2-9,14,22H,1H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 396.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 167823629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).