3-[1-(furan-2-yl)propylamino]benzenesulfonamide

C13H16N2O3S — CID 62634130

IUPAC3-[1-(furan-2-yl)propylamino]benzenesulfonamide
SMILESCCC(Nc1cccc(S(N)(=O)=O)c1)c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-2-12(13-7-4-8-18-13)15-10-5-3-6-11(9-10)19(14,16)17/h3-9,12,15H,2H2,1H3,(H2,14,16,17)
InChIKeyQNLXCLAGKQGGOP-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.49
Rot. Bonds5

About 3-[1-(furan-2-yl)propylamino]benzenesulfonamide

3-[1-(furan-2-yl)propylamino]benzenesulfonamide (PubChem CID 62634130) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propylamino]benzenesulfonamide
PubChem CID62634130
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-[1-(furan-2-yl)propylamino]benzenesulfonamide
SMILESCCC(Nc1cccc(S(N)(=O)=O)c1)c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-2-12(13-7-4-8-18-13)15-10-5-3-6-11(9-10)19(14,16)17/h3-9,12,15H,2H2,1H3,(H2,14,16,17)
InChIKeyQNLXCLAGKQGGOP-UHFFFAOYSA-N
XLogP2.49
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
CID 62631438
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
methyl 3-[1-(furan-2-yl)propylamino]benzoate
CID 62632863
4-[[1-(furan-2-yl)propylamino]methyl]benzenesulfonamide
CID 62632675
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
CID 43761251
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62633991
N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propylamino]benzenesulfonamide?
The IUPAC name of 3-[1-(furan-2-yl)propylamino]benzenesulfonamide (CID 62634130) is 3-[1-(furan-2-yl)propylamino]benzenesulfonamide.
What is the SMILES notation for 3-[1-(furan-2-yl)propylamino]benzenesulfonamide?
The canonical SMILES for 3-[1-(furan-2-yl)propylamino]benzenesulfonamide is CCC(Nc1cccc(S(N)(=O)=O)c1)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)propylamino]benzenesulfonamide?
The InChIKey is QNLXCLAGKQGGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-12(13-7-4-8-18-13)15-10-5-3-6-11(9-10)19(14,16)17/h3-9,12,15H,2H2,1H3,(H2,14,16,17).
What are the key properties of 3-[1-(furan-2-yl)propylamino]benzenesulfonamide?
3-[1-(furan-2-yl)propylamino]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propylamino]benzenesulfonamide is sourced from PubChem (CID 62634130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).