3-[(sulfamoylamino)methyl]-1-benzofuran

C9H10N2O3S — CID 11521450

IUPAC3-[(sulfamoylamino)methyl]-1-benzofuran
SMILESNS(=O)(=O)NCc1coc2ccccc12
InChIInChI=1S/C9H10N2O3S/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
InChIKeyXOBOZYKTCAJRGO-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.73
Rot. Bonds3

About 3-[(sulfamoylamino)methyl]-1-benzofuran

3-[(sulfamoylamino)methyl]-1-benzofuran (PubChem CID 11521450) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-[(sulfamoylamino)methyl]-1-benzofuran.

Molecular Properties

Compound Name3-[(sulfamoylamino)methyl]-1-benzofuran
PubChem CID11521450
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name3-[(sulfamoylamino)methyl]-1-benzofuran
SMILESNS(=O)(=O)NCc1coc2ccccc12
InChIInChI=1S/C9H10N2O3S/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
InChIKeyXOBOZYKTCAJRGO-UHFFFAOYSA-N
XLogP0.73
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzo[b]furan-3-ylethylamine
CID 12420812
7-(2-Aminopropyl)benzofuran
CID 10130548
2-(Aminomethyl)benzofuran
CID 19079348
(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137636972
(E)-N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine;hydrochloride
CID 137637785
(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine;hydrochloride
CID 137653513
2-(1-Benzofuran-3-yl)-1-methylpyrrolidine
CID 168282703
3-Benzofuranethanamine
CID 18786123
N,N-dimethyl-N'-[(2-methyl-1-benzofuran-3-yl)methyl]urea
CID 2732038
1,2,3,4-Tetrahydro-benzofuro(3,2-c)pyridine
CID 11160118
1-(1-Benzofuran-3-yl)methanamine
CID 23504847
(1-Benzofuran-4-yl)methanamine
CID 55291080

Frequently Asked Questions

What is the IUPAC name of 3-[(sulfamoylamino)methyl]-1-benzofuran?
The IUPAC name of 3-[(sulfamoylamino)methyl]-1-benzofuran (CID 11521450) is 3-[(sulfamoylamino)methyl]-1-benzofuran.
What is the SMILES notation for 3-[(sulfamoylamino)methyl]-1-benzofuran?
The canonical SMILES for 3-[(sulfamoylamino)methyl]-1-benzofuran is NS(=O)(=O)NCc1coc2ccccc12.
What is the InChIKey of 3-[(sulfamoylamino)methyl]-1-benzofuran?
The InChIKey is XOBOZYKTCAJRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13).
What are the key properties of 3-[(sulfamoylamino)methyl]-1-benzofuran?
3-[(sulfamoylamino)methyl]-1-benzofuran has a molecular weight of 226.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(sulfamoylamino)methyl]-1-benzofuran is sourced from PubChem (CID 11521450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).