N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

C13H11F4N3O3S — CID 71795788

IUPACN-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C13H11F4N3O3S/c1-2-23-12-6-11(18-7-19-12)20-24(21,22)8-3-4-10(14)9(5-8)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyXYZNMMNWLAYEFQ-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.83
Rot. Bonds5

About N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71795788) has the molecular formula C13H11F4N3O3S and a molecular weight of 365.31 g/mol. Its IUPAC name is N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71795788
Molecular FormulaC13H11F4N3O3S
Molecular Weight365.31 g/mol
Exact Mass365.05
IUPAC NameN-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ncn1
InChIInChI=1S/C13H11F4N3O3S/c1-2-23-12-6-11(18-7-19-12)20-24(21,22)8-3-4-10(14)9(5-8)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyXYZNMMNWLAYEFQ-UHFFFAOYSA-N
XLogP2.83
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 121135423
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038451
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
3,4-dimethoxy-N-[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzenesulfonamide
CID 44632791
N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 156833350
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154765958

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CID 71795788) is N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is CCOc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ncn1.
What is the InChIKey of N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XYZNMMNWLAYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O3S/c1-2-23-12-6-11(18-7-19-12)20-24(21,22)8-3-4-10(14)9(5-8)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrimidin-4-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71795788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).