N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide

C21H24N2O3S — CID 66893953

IUPACN-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(CC2CCNCC2)c2occc2c1
InChIInChI=1S/C21H24N2O3S/c1-15-4-2-3-5-20(15)23-27(24,25)19-13-17-8-11-26-21(17)18(14-19)12-16-6-9-22-10-7-16/h2-5,8,11,13-14,16,22-23H,6-7,9-10,12H2,1H3
InChIKeyDDVBJKGJVDDROE-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.08
Rot. Bonds5

About N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide

N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide (PubChem CID 66893953) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide
PubChem CID66893953
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(CC2CCNCC2)c2occc2c1
InChIInChI=1S/C21H24N2O3S/c1-15-4-2-3-5-20(15)23-27(24,25)19-13-17-8-11-26-21(17)18(14-19)12-16-6-9-22-10-7-16/h2-5,8,11,13-14,16,22-23H,6-7,9-10,12H2,1H3
InChIKeyDDVBJKGJVDDROE-UHFFFAOYSA-N
XLogP4.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide (CID 66893953) is N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(CC2CCNCC2)c2occc2c1.
What is the InChIKey of N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide?
The InChIKey is DDVBJKGJVDDROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-4-2-3-5-20(15)23-27(24,25)19-13-17-8-11-26-21(17)18(14-19)12-16-6-9-22-10-7-16/h2-5,8,11,13-14,16,22-23H,6-7,9-10,12H2,1H3.
What are the key properties of N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide?
N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 66893953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).