2,3-dihydro-1-benzofuran-5-yl sulfamate

C8H9NO4S — CID 154276284

IUPAC2,3-dihydro-1-benzofuran-5-yl sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCO2
InChIInChI=1S/C8H9NO4S/c9-14(10,11)13-7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyHSAJONBENMSVCE-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.20
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl sulfamate

2,3-dihydro-1-benzofuran-5-yl sulfamate (PubChem CID 154276284) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl sulfamate.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl sulfamate
PubChem CID154276284
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2,3-dihydro-1-benzofuran-5-yl sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCO2
InChIInChI=1S/C8H9NO4S/c9-14(10,11)13-7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyHSAJONBENMSVCE-UHFFFAOYSA-N
XLogP0.20
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
2-(2,3-dihydro-1-benzofuran-5-yloxy)pyridine-3-carboxamide
CID 141060321
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
[(5Z)-5-methyl-2-oxabicyclo[9.4.0]pentadeca-1(11),5,12,14-tetraen-13-yl] trifluoromethanesulfonate
CID 118703507
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 62688441
4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidine
CID 84684730
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
5-isocyano-2,3-dihydro-1-benzofuran
CID 83479252
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773
[(4Z)-5-methyl-3,6,7,8-tetrahydro-2H-1-benzoxecin-10-yl] trifluoromethanesulfonate
CID 66557314
2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855219

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl sulfamate?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl sulfamate (CID 154276284) is 2,3-dihydro-1-benzofuran-5-yl sulfamate.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl sulfamate?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl sulfamate is NS(=O)(=O)Oc1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl sulfamate?
The InChIKey is HSAJONBENMSVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c9-14(10,11)13-7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H2,9,10,11).
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl sulfamate?
2,3-dihydro-1-benzofuran-5-yl sulfamate has a molecular weight of 215.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl sulfamate is sourced from PubChem (CID 154276284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).