5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide

C10H12BrNO3S — CID 75521928

IUPAC5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C10H12BrNO3S/c1-2-12-16(13,14)9-6-8(11)5-7-3-4-15-10(7)9/h5-6,12H,2-4H2,1H3
InChIKeyIJAKXBPESVMSBY-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.68
Rot. Bonds3

About 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide

5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 75521928) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID75521928
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C10H12BrNO3S/c1-2-12-16(13,14)9-6-8(11)5-7-3-4-15-10(7)9/h5-6,12H,2-4H2,1H3
InChIKeyIJAKXBPESVMSBY-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120708703
N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120713131
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 120711177
5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 120707862
5-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120726639
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(ethylamino)ethanesulfonamide
CID 104703172
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 120709093
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]piperazine;hydrochloride
CID 120706633
3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-1-amine
CID 104545065
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120779830
N-[3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]propyl]methanesulfonamide
CID 104747879
5-bromo-N-(5-chloro-2-hydroxy-3-nitrophenyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 155598020

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 75521928) is 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide is CCNS(=O)(=O)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is IJAKXBPESVMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-2-12-16(13,14)9-6-8(11)5-7-3-4-15-10(7)9/h5-6,12H,2-4H2,1H3.
What are the key properties of 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 306.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 75521928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).