N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C20H18FN3O4S — CID 122303524

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H18FN3O4S/c1-12-19(13(2)23-20(22-12)28-18-6-4-3-5-16(18)21)24-29(25,26)15-7-8-17-14(11-15)9-10-27-17/h3-8,11,24H,9-10H2,1-2H3
InChIKeyAXDALDXXSFYVEQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 122303524) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID122303524
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H18FN3O4S/c1-12-19(13(2)23-20(22-12)28-18-6-4-3-5-16(18)21)24-29(25,26)15-7-8-17-14(11-15)9-10-27-17/h3-8,11,24H,9-10H2,1-2H3
InChIKeyAXDALDXXSFYVEQ-UHFFFAOYSA-N
XLogP3.76
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303153
3,5-difluoro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzenesulfonamide
CID 122303511
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122303528
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122303319
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110760967
N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 176502937
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43604962
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 122303524) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1nc(Oc2ccccc2F)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is AXDALDXXSFYVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-12-19(13(2)23-20(22-12)28-18-6-4-3-5-16(18)21)24-29(25,26)15-7-8-17-14(11-15)9-10-27-17/h3-8,11,24H,9-10H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 415.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 122303524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).