N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide

C9H13NO5S2 — CID 2850965

IUPACN-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCc2ccco2)C1
InChIInChI=1S/C9H13NO5S2/c11-16(12)5-3-9(7-16)17(13,14)10-6-8-2-1-4-15-8/h1-2,4,9-10H,3,5-7H2
InChIKeySRZOHADVGILVRG-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.11
Rot. Bonds4

About N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide

N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 2850965) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID2850965
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC NameN-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCc2ccco2)C1
InChIInChI=1S/C9H13NO5S2/c11-16(12)5-3-9(7-16)17(13,14)10-6-8-2-1-4-15-8/h1-2,4,9-10H,3,5-7H2
InChIKeySRZOHADVGILVRG-UHFFFAOYSA-N
XLogP-0.11
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide (CID 2850965) is N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is SRZOHADVGILVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S2/c11-16(12)5-3-9(7-16)17(13,14)10-6-8-2-1-4-15-8/h1-2,4,9-10H,3,5-7H2.
What are the key properties of N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide?
N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 279.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 2850965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).