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

C18H14FN3O4S — CID 122303153

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14FN3O4S/c19-15-3-1-2-4-17(15)26-18-20-10-13(11-21-18)22-27(23,24)14-5-6-16-12(9-14)7-8-25-16/h1-6,9-11,22H,7-8H2
InChIKeyHRTJGODTODITCI-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.14
Rot. Bonds5

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

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 122303153) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID122303153
Molecular FormulaC18H14FN3O4S
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14FN3O4S/c19-15-3-1-2-4-17(15)26-18-20-10-13(11-21-18)22-27(23,24)14-5-6-16-12(9-14)7-8-25-16/h1-6,9-11,22H,7-8H2
InChIKeyHRTJGODTODITCI-UHFFFAOYSA-N
XLogP3.14
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303524
3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
CID 91968436
N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375644
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115733543
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-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122303163
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072921

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 122303153) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is HRTJGODTODITCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c19-15-3-1-2-4-17(15)26-18-20-10-13(11-21-18)22-27(23,24)14-5-6-16-12(9-14)7-8-25-16/h1-6,9-11,22H,7-8H2.
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 387.39 g/mol, XLogP of 3.14, 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)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 122303153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).