4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide

C15H13F3N2O4S — CID 91643686

IUPAC4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)CC(F)(F)F)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C15H13F3N2O4S/c16-15(17,18)10-25(22,23)20-14(21)11-4-6-13(7-5-11)24-9-12-3-1-2-8-19-12/h1-8H,9-10H2,(H,20,21)
InChIKeyDRPJXNBFFHASCJ-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.28
Rot. Bonds6

About 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide

4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide (PubChem CID 91643686) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide
PubChem CID91643686
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)CC(F)(F)F)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C15H13F3N2O4S/c16-15(17,18)10-25(22,23)20-14(21)11-4-6-13(7-5-11)24-9-12-3-1-2-8-19-12/h1-8H,9-10H2,(H,20,21)
InChIKeyDRPJXNBFFHASCJ-UHFFFAOYSA-N
XLogP2.28
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861
N-propan-2-yl-4-[3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoylamino]benzamide
CID 55864279
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-(1,3-thiazol-2-yl)benzamide
CID 87464231
N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 71998783
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide?
The IUPAC name of 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide (CID 91643686) is 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide.
What is the SMILES notation for 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide?
The canonical SMILES for 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide is O=C(NS(=O)(=O)CC(F)(F)F)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide?
The InChIKey is DRPJXNBFFHASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c16-15(17,18)10-25(22,23)20-14(21)11-4-6-13(7-5-11)24-9-12-3-1-2-8-19-12/h1-8H,9-10H2,(H,20,21).
What are the key properties of 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide?
4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide is sourced from PubChem (CID 91643686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).