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

C16H25NO3S — CID 46457555

IUPACN-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO3S/c1-3-5-6-13(4-2)12-17-21(18,19)15-7-8-16-14(11-15)9-10-20-16/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3
InChIKeyHCQFNCQJJKHDOG-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.12
Rot. Bonds8

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

N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 46457555) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID46457555
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO3S/c1-3-5-6-13(4-2)12-17-21(18,19)15-7-8-16-14(11-15)9-10-20-16/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3
InChIKeyHCQFNCQJJKHDOG-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 46457555) is N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is HCQFNCQJJKHDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-5-6-13(4-2)12-17-21(18,19)15-7-8-16-14(11-15)9-10-20-16/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 46457555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).