N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide

C23H23F3N2O4S — CID 177245705

IUPACN-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide
SMILESCOc1ncc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C23H23F3N2O4S/c1-15(2)33(29,30)28-21-12-18(13-27-22(21)31-3)17-7-5-9-20(11-17)32-14-16-6-4-8-19(10-16)23(24,25)26/h4-13,15,28H,14H2,1-3H3
InChIKeyBQGKBDKQYCEGTI-UHFFFAOYSA-N
MW480.51 g/mol
LogP5.51
Rot. Bonds8

About N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide

N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide (PubChem CID 177245705) has the molecular formula C23H23F3N2O4S and a molecular weight of 480.51 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide
PubChem CID177245705
Molecular FormulaC23H23F3N2O4S
Molecular Weight480.51 g/mol
Exact Mass480.13
IUPAC NameN-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide
SMILESCOc1ncc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C23H23F3N2O4S/c1-15(2)33(29,30)28-21-12-18(13-27-22(21)31-3)17-7-5-9-20(11-17)32-14-16-6-4-8-19(10-16)23(24,25)26/h4-13,15,28H,14H2,1-3H3
InChIKeyBQGKBDKQYCEGTI-UHFFFAOYSA-N
XLogP5.51
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 177245652
CID 177245652
1-fluoro-N-[5-[2-fluoro-5-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 177245585
N-[3-methoxy-6-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridazin-4-yl]ethanesulfonamide
CID 177245423
2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine
CID 177245623
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 177245293
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]propane-2-sulfonamide
CID 90576057
N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
CID 46873110
N-(2-methoxy-3-pyridinyl)propane-2-sulfonamide
CID 62998946
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide?
The IUPAC name of N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide (CID 177245705) is N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide is COc1ncc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide?
The InChIKey is BQGKBDKQYCEGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4S/c1-15(2)33(29,30)28-21-12-18(13-27-22(21)31-3)17-7-5-9-20(11-17)32-14-16-6-4-8-19(10-16)23(24,25)26/h4-13,15,28H,14H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide?
N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 480.51 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 177245705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).