5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C15H14F4N2O3S — CID 52907215

IUPAC5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N(Cc1ccccn1)CC(F)(F)F
InChIInChI=1S/C15H14F4N2O3S/c1-24-13-6-5-11(16)8-14(13)25(22,23)21(10-15(17,18)19)9-12-4-2-3-7-20-12/h2-8H,9-10H2,1H3
InChIKeyVJBNUVTXJRBVGZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.98
Rot. Bonds6

About 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 52907215) has the molecular formula C15H14F4N2O3S and a molecular weight of 378.35 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID52907215
Molecular FormulaC15H14F4N2O3S
Molecular Weight378.35 g/mol
Exact Mass378.07
IUPAC Name5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N(Cc1ccccn1)CC(F)(F)F
InChIInChI=1S/C15H14F4N2O3S/c1-24-13-6-5-11(16)8-14(13)25(22,23)21(10-15(17,18)19)9-12-4-2-3-7-20-12/h2-8H,9-10H2,1H3
InChIKeyVJBNUVTXJRBVGZ-UHFFFAOYSA-N
XLogP2.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906814
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 42406466
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 57010241
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781417
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100798288
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 52907215) is 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)N(Cc1ccccn1)CC(F)(F)F.
What is the InChIKey of 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is VJBNUVTXJRBVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O3S/c1-24-13-6-5-11(16)8-14(13)25(22,23)21(10-15(17,18)19)9-12-4-2-3-7-20-12/h2-8H,9-10H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 378.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 52907215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).