N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H15N3O3S — CID 126839623

IUPACN-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(C#N)cc(NS(=O)(=O)c2ccc3c(c2)CC(C)O3)n1
InChIInChI=1S/C16H15N3O3S/c1-10-5-12(9-17)7-16(18-10)19-23(20,21)14-3-4-15-13(8-14)6-11(2)22-15/h3-5,7-8,11H,6H2,1-2H3,(H,18,19)
InChIKeyLOKMVSYHKAJLAV-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.39
Rot. Bonds3

About N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 126839623) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID126839623
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(C#N)cc(NS(=O)(=O)c2ccc3c(c2)CC(C)O3)n1
InChIInChI=1S/C16H15N3O3S/c1-10-5-12(9-17)7-16(18-10)19-23(20,21)14-3-4-15-13(8-14)6-11(2)22-15/h3-5,7-8,11H,6H2,1-2H3,(H,18,19)
InChIKeyLOKMVSYHKAJLAV-UHFFFAOYSA-N
XLogP2.39
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 126839623) is N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1cc(C#N)cc(NS(=O)(=O)c2ccc3c(c2)CC(C)O3)n1.
What is the InChIKey of N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is LOKMVSYHKAJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-5-12(9-17)7-16(18-10)19-23(20,21)14-3-4-15-13(8-14)6-11(2)22-15/h3-5,7-8,11H,6H2,1-2H3,(H,18,19).
What are the key properties of N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 126839623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).