N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide

C13H13NO4S2 — CID 2815575

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2O1)c1cccs1
InChIInChI=1S/C13H13NO4S2/c15-20(16,13-6-3-7-19-13)14-8-10-9-17-11-4-1-2-5-12(11)18-10/h1-7,10,14H,8-9H2
InChIKeyAXXQLDMMYWLFRY-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.87
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 2815575) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID2815575
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2O1)c1cccs1
InChIInChI=1S/C13H13NO4S2/c15-20(16,13-6-3-7-19-13)14-8-10-9-17-11-4-1-2-5-12(11)18-10/h1-7,10,14H,8-9H2
InChIKeyAXXQLDMMYWLFRY-UHFFFAOYSA-N
XLogP1.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide (CID 2815575) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCC1COc2ccccc2O1)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is AXXQLDMMYWLFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c15-20(16,13-6-3-7-19-13)14-8-10-9-17-11-4-1-2-5-12(11)18-10/h1-7,10,14H,8-9H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2815575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).