N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide

C13H13NO5S — CID 110731592

IUPACN-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCO2)c1ccco1
InChIInChI=1S/C13H13NO5S/c1-9(11-3-2-6-17-11)14-20(15,16)10-4-5-12-13(7-10)19-8-18-12/h2-7,9,14H,8H2,1H3
InChIKeyZATURVYYQKBTSC-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide

N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110731592) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110731592
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC NameN-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCO2)c1ccco1
InChIInChI=1S/C13H13NO5S/c1-9(11-3-2-6-17-11)14-20(15,16)10-4-5-12-13(7-10)19-8-18-12/h2-7,9,14H,8H2,1H3
InChIKeyZATURVYYQKBTSC-UHFFFAOYSA-N
XLogP2.05
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 134950960
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421881
N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110724502
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 43535866
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 9160195
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62147836

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide (CID 110731592) is N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)OCO2)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is ZATURVYYQKBTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c1-9(11-3-2-6-17-11)14-20(15,16)10-4-5-12-13(7-10)19-8-18-12/h2-7,9,14H,8H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 295.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110731592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).