N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H17NO4S — CID 138042840

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc2O1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17NO4S/c19-23(20,15-5-6-16-13(10-15)7-8-21-16)18-11-14-9-12-3-1-2-4-17(12)22-14/h1-6,10,14,18H,7-9,11H2
InChIKeyFCQPEJXRGHEVQR-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.90
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 138042840) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID138042840
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc2O1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17NO4S/c19-23(20,15-5-6-16-13(10-15)7-8-21-16)18-11-14-9-12-3-1-2-4-17(12)22-14/h1-6,10,14,18H,7-9,11H2
InChIKeyFCQPEJXRGHEVQR-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
CID 34141612
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55627727
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100751526
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
CID 47954952
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119987288
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 138042840) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NCC1Cc2ccccc2O1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is FCQPEJXRGHEVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-23(20,15-5-6-16-13(10-15)7-8-21-16)18-11-14-9-12-3-1-2-4-17(12)22-14/h1-6,10,14,18H,7-9,11H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 331.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 138042840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).