N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide

C12H12FN3O3S — CID 122301898

IUPACN-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C12H12FN3O3S/c1-2-19-12-14-7-10(8-15-12)16-20(17,18)11-5-3-4-9(13)6-11/h3-8,16H,2H2,1H3
InChIKeyDVTDONZJEULKGZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.82
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide

N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide (PubChem CID 122301898) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
PubChem CID122301898
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C12H12FN3O3S/c1-2-19-12-14-7-10(8-15-12)16-20(17,18)11-5-3-4-9(13)6-11/h3-8,16H,2H2,1H3
InChIKeyDVTDONZJEULKGZ-UHFFFAOYSA-N
XLogP1.82
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide
CID 26949915
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
CID 39340829
N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
CID 122302123
N-(2-ethoxypyrimidin-5-yl)-4-nitrobenzenesulfonamide
CID 122302186
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
3-fluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474858

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide (CID 122301898) is N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide is CCOc1ncc(NS(=O)(=O)c2cccc(F)c2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide?
The InChIKey is DVTDONZJEULKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-2-19-12-14-7-10(8-15-12)16-20(17,18)11-5-3-4-9(13)6-11/h3-8,16H,2H2,1H3.
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide?
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide has a molecular weight of 297.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 122301898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).