N-(furan-3-ylmethyl)propane-1-sulfonamide

C8H13NO3S — CID 47387332

IUPACN-(furan-3-ylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccoc1
InChIInChI=1S/C8H13NO3S/c1-2-5-13(10,11)9-6-8-3-4-12-7-8/h3-4,7,9H,2,5-6H2,1H3
InChIKeyOBXOSXYJDHTABX-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.11
Rot. Bonds5

About N-(furan-3-ylmethyl)propane-1-sulfonamide

N-(furan-3-ylmethyl)propane-1-sulfonamide (PubChem CID 47387332) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)propane-1-sulfonamide
PubChem CID47387332
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC NameN-(furan-3-ylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccoc1
InChIInChI=1S/C8H13NO3S/c1-2-5-13(10,11)9-6-8-3-4-12-7-8/h3-4,7,9H,2,5-6H2,1H3
InChIKeyOBXOSXYJDHTABX-UHFFFAOYSA-N
XLogP1.11
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)propane-1-sulfonamide (CID 47387332) is N-(furan-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is OBXOSXYJDHTABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-5-13(10,11)9-6-8-3-4-12-7-8/h3-4,7,9H,2,5-6H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)propane-1-sulfonamide?
N-(furan-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 203.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 47387332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).