N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H22N2O3S — CID 84591175

IUPACN-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O3S/c1-3-14(15,4-2)10-16-20(17,18)12-5-6-13-11(9-12)7-8-19-13/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyAVXJMPNOQWPBDW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.42
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 84591175) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID84591175
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O3S/c1-3-14(15,4-2)10-16-20(17,18)12-5-6-13-11(9-12)7-8-19-13/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyAVXJMPNOQWPBDW-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 84591175) is N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is AVXJMPNOQWPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-14(15,4-2)10-16-20(17,18)12-5-6-13-11(9-12)7-8-19-13/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 84591175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).