N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H15NO4S2 — CID 119101963

IUPACN-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccsc2)o1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H15NO4S2/c19-24(20,15-2-4-16-12(9-15)5-7-21-16)18-10-14-1-3-17(22-14)13-6-8-23-11-13/h1-4,6,8-9,11,18H,5,7,10H2
InChIKeyYMTQBESEHYBZNX-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.42
Rot. Bonds5

About N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 119101963) has the molecular formula C17H15NO4S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID119101963
Molecular FormulaC17H15NO4S2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC NameN-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccsc2)o1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H15NO4S2/c19-24(20,15-2-4-16-12(9-15)5-7-21-16)18-10-14-1-3-17(22-14)13-6-8-23-11-13/h1-4,6,8-9,11,18H,5,7,10H2
InChIKeyYMTQBESEHYBZNX-UHFFFAOYSA-N
XLogP3.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705597
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 130431466
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122274715
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119102210
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 119101963) is N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NCc1ccc(-c2ccsc2)o1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is YMTQBESEHYBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S2/c19-24(20,15-2-4-16-12(9-15)5-7-21-16)18-10-14-1-3-17(22-14)13-6-8-23-11-13/h1-4,6,8-9,11,18H,5,7,10H2.
What are the key properties of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 361.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-3-ylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 119101963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).