N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C12H10BrN3O3S — CID 115733543

IUPACN-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnc(Br)cn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H10BrN3O3S/c13-11-6-15-12(7-14-11)16-20(17,18)9-1-2-10-8(5-9)3-4-19-10/h1-2,5-7H,3-4H2,(H,15,16)
InChIKeyPQINYRSPRHTQFB-UHFFFAOYSA-N
MW356.20 g/mol
LogP1.97
Rot. Bonds3

About N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 115733543) has the molecular formula C12H10BrN3O3S and a molecular weight of 356.20 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID115733543
Molecular FormulaC12H10BrN3O3S
Molecular Weight356.20 g/mol
Exact Mass354.96
IUPAC NameN-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnc(Br)cn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H10BrN3O3S/c13-11-6-15-12(7-14-11)16-20(17,18)9-1-2-10-8(5-9)3-4-19-10/h1-2,5-7H,3-4H2,(H,15,16)
InChIKeyPQINYRSPRHTQFB-UHFFFAOYSA-N
XLogP1.97
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375644
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072921
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303153
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 121135190
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126857791

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 115733543) is N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1cnc(Br)cn1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is PQINYRSPRHTQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3S/c13-11-6-15-12(7-14-11)16-20(17,18)9-1-2-10-8(5-9)3-4-19-10/h1-2,5-7H,3-4H2,(H,15,16).
What are the key properties of N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 356.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 115733543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).