N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide

C14H14N2O3S — CID 84584191

IUPACN-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)COC3)n1
InChIInChI=1S/C14H14N2O3S/c1-10-3-2-4-14(15-10)16-20(17,18)13-6-5-11-8-19-9-12(11)7-13/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyHNUVXNDJEYSPCK-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.22
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide

N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide (PubChem CID 84584191) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
PubChem CID84584191
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)COC3)n1
InChIInChI=1S/C14H14N2O3S/c1-10-3-2-4-14(15-10)16-20(17,18)13-6-5-11-8-19-9-12(11)7-13/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyHNUVXNDJEYSPCK-UHFFFAOYSA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide (CID 84584191) is N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc3c(c2)COC3)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
The InChIKey is HNUVXNDJEYSPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-3-2-4-14(15-10)16-20(17,18)13-6-5-11-8-19-9-12(11)7-13/h2-7H,8-9H2,1H3,(H,15,16).
What are the key properties of N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide is sourced from PubChem (CID 84584191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).