N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide

C13H14FN3O4S — CID 71795786

IUPACN-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCCOc1cc(NS(=O)(=O)c2ccc(OC)c(F)c2)ncn1
InChIInChI=1S/C13H14FN3O4S/c1-3-21-13-7-12(15-8-16-13)17-22(18,19)9-4-5-11(20-2)10(14)6-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyMMJKFUUABJEHCD-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.82
Rot. Bonds6

About N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide

N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 71795786) has the molecular formula C13H14FN3O4S and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID71795786
Molecular FormulaC13H14FN3O4S
Molecular Weight327.34 g/mol
Exact Mass327.07
IUPAC NameN-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCCOc1cc(NS(=O)(=O)c2ccc(OC)c(F)c2)ncn1
InChIInChI=1S/C13H14FN3O4S/c1-3-21-13-7-12(15-8-16-13)17-22(18,19)9-4-5-11(20-2)10(14)6-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyMMJKFUUABJEHCD-UHFFFAOYSA-N
XLogP1.82
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide (CID 71795786) is N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide is CCOc1cc(NS(=O)(=O)c2ccc(OC)c(F)c2)ncn1.
What is the InChIKey of N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is MMJKFUUABJEHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4S/c1-3-21-13-7-12(15-8-16-13)17-22(18,19)9-4-5-11(20-2)10(14)6-9/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 327.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrimidin-4-yl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71795786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).