N-(furan-3-ylmethyl)propane-2-sulfonamide

C8H13NO3S — CID 47372317

IUPACN-(furan-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccoc1
InChIInChI=1S/C8H13NO3S/c1-7(2)13(10,11)9-5-8-3-4-12-6-8/h3-4,6-7,9H,5H2,1-2H3
InChIKeyGCPYRBQUUJBUHD-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.11
Rot. Bonds4

About N-(furan-3-ylmethyl)propane-2-sulfonamide

N-(furan-3-ylmethyl)propane-2-sulfonamide (PubChem CID 47372317) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)propane-2-sulfonamide
PubChem CID47372317
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC NameN-(furan-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccoc1
InChIInChI=1S/C8H13NO3S/c1-7(2)13(10,11)9-5-8-3-4-12-6-8/h3-4,6-7,9H,5H2,1-2H3
InChIKeyGCPYRBQUUJBUHD-UHFFFAOYSA-N
XLogP1.11
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-2-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)propane-2-sulfonamide (CID 47372317) is N-(furan-3-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)propane-2-sulfonamide?
The InChIKey is GCPYRBQUUJBUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-7(2)13(10,11)9-5-8-3-4-12-6-8/h3-4,6-7,9H,5H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)propane-2-sulfonamide?
N-(furan-3-ylmethyl)propane-2-sulfonamide has a molecular weight of 203.26 g/mol, XLogP of 1.11, 4 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-2-sulfonamide is sourced from PubChem (CID 47372317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).