3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide

C14H19N3O5S2 — CID 55511765

IUPAC3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccco1
InChIInChI=1S/C14H19N3O5S2/c1-17(2)13(14-7-4-8-22-14)10-16-24(20,21)12-6-3-5-11(9-12)23(15,18)19/h3-9,13,16H,10H2,1-2H3,(H2,15,18,19)
InChIKeyUCDSJABYHDGJDL-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.51
Rot. Bonds7

About 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide

3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide (PubChem CID 55511765) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
PubChem CID55511765
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC Name3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccco1
InChIInChI=1S/C14H19N3O5S2/c1-17(2)13(14-7-4-8-22-14)10-16-24(20,21)12-6-3-5-11(9-12)23(15,18)19/h3-9,13,16H,10H2,1-2H3,(H2,15,18,19)
InChIKeyUCDSJABYHDGJDL-UHFFFAOYSA-N
XLogP0.51
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
CID 71786114
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 51943762
3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 41454933
3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
CID 79090939
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60700187
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-sulfonamide
CID 47149015
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide (CID 55511765) is 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide is CN(C)C(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccco1.
What is the InChIKey of 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide?
The InChIKey is UCDSJABYHDGJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c1-17(2)13(14-7-4-8-22-14)10-16-24(20,21)12-6-3-5-11(9-12)23(15,18)19/h3-9,13,16H,10H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide?
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide has a molecular weight of 373.46 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 55511765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).