N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C15H16N2O3S — CID 2812532

IUPACN-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H16N2O3S/c1-2-11-5-7-16-15(9-11)17-21(18,19)13-3-4-14-12(10-13)6-8-20-14/h3-5,7,9-10H,2,6,8H2,1H3,(H,16,17)
InChIKeyFDLYUFRQGQYNOZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.38
Rot. Bonds4

About N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 2812532) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID2812532
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H16N2O3S/c1-2-11-5-7-16-15(9-11)17-21(18,19)13-3-4-14-12(10-13)6-8-20-14/h3-5,7,9-10H,2,6,8H2,1H3,(H,16,17)
InChIKeyFDLYUFRQGQYNOZ-UHFFFAOYSA-N
XLogP2.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 2812532) is N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CCc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is FDLYUFRQGQYNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-11-5-7-16-15(9-11)17-21(18,19)13-3-4-14-12(10-13)6-8-20-14/h3-5,7,9-10H,2,6,8H2,1H3,(H,16,17).
What are the key properties of N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 2812532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).