N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C20H24N2O4S — CID 176502937

IUPACN-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1ncccc1OC1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C20H24N2O4S/c1-14-19(3-2-11-21-14)26-17-6-4-16(5-7-17)22-27(23,24)18-8-9-20-15(13-18)10-12-25-20/h2-3,8-9,11,13,16-17,22H,4-7,10,12H2,1H3
InChIKeyNETZGABYPOCSQH-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.99
Rot. Bonds5

About N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 176502937) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID176502937
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1ncccc1OC1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C20H24N2O4S/c1-14-19(3-2-11-21-14)26-17-6-4-16(5-7-17)22-27(23,24)18-8-9-20-15(13-18)10-12-25-20/h2-3,8-9,11,13,16-17,22H,4-7,10,12H2,1H3
InChIKeyNETZGABYPOCSQH-UHFFFAOYSA-N
XLogP2.99
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 176502937) is N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1ncccc1OC1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is NETZGABYPOCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-19(3-2-11-21-14)26-17-6-4-16(5-7-17)22-27(23,24)18-8-9-20-15(13-18)10-12-25-20/h2-3,8-9,11,13,16-17,22H,4-7,10,12H2,1H3.
What are the key properties of N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 176502937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).