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

C22H26N2O6S2 — CID 55361585

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H26N2O6S2/c25-31(26,19-5-7-21-15(13-19)9-11-29-21)23-17-1-2-18(4-3-17)24-32(27,28)20-6-8-22-16(14-20)10-12-30-22/h5-8,13-14,17-18,23-24H,1-4,9-12H2
InChIKeyKVSWIMAGEZUXFV-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.12
Rot. Bonds6

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

N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 55361585) has the molecular formula C22H26N2O6S2 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID55361585
Molecular FormulaC22H26N2O6S2
Molecular Weight478.59 g/mol
Exact Mass478.12
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H26N2O6S2/c25-31(26,19-5-7-21-15(13-19)9-11-29-21)23-17-1-2-18(4-3-17)24-32(27,28)20-6-8-22-16(14-20)10-12-30-22/h5-8,13-14,17-18,23-24H,1-4,9-12H2
InChIKeyKVSWIMAGEZUXFV-UHFFFAOYSA-N
XLogP2.12
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55542508
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126857791
N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 176502937
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 49457204
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide
CID 139006719
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 136962420
6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 16788179
N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119987288
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 55361585) is N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NC1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is KVSWIMAGEZUXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S2/c25-31(26,19-5-7-21-15(13-19)9-11-29-21)23-17-1-2-18(4-3-17)24-32(27,28)20-6-8-22-16(14-20)10-12-30-22/h5-8,13-14,17-18,23-24H,1-4,9-12H2.
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 478.59 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 55361585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).