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

C13H13NO3S2 — CID 2742248

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CCO2)c1cccs1
InChIInChI=1S/C13H13NO3S2/c15-19(16,13-2-1-7-18-13)14-9-10-3-4-12-11(8-10)5-6-17-12/h1-4,7-8,14H,5-6,9H2
InChIKeyVOFMFIUKSAOXOD-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.16
Rot. Bonds4

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

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 2742248) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID2742248
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CCO2)c1cccs1
InChIInChI=1S/C13H13NO3S2/c15-19(16,13-2-1-7-18-13)14-9-10-3-4-12-11(8-10)5-6-17-12/h1-4,7-8,14H,5-6,9H2
InChIKeyVOFMFIUKSAOXOD-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide (CID 2742248) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is VOFMFIUKSAOXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c15-19(16,13-2-1-7-18-13)14-9-10-3-4-12-11(8-10)5-6-17-12/h1-4,7-8,14H,5-6,9H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 295.38 g/mol, XLogP of 2.16, 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-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2742248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).