3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide

C13H15BrN2O3S — CID 62632723

IUPAC3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
SMILESCCC(Nc1ccc(S(N)(=O)=O)cc1Br)c1ccco1
InChIInChI=1S/C13H15BrN2O3S/c1-2-11(13-4-3-7-19-13)16-12-6-5-9(8-10(12)14)20(15,17)18/h3-8,11,16H,2H2,1H3,(H2,15,17,18)
InChIKeyGLZPJXBGAGMPLJ-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.25
Rot. Bonds5

About 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide

3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide (PubChem CID 62632723) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
PubChem CID62632723
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
SMILESCCC(Nc1ccc(S(N)(=O)=O)cc1Br)c1ccco1
InChIInChI=1S/C13H15BrN2O3S/c1-2-11(13-4-3-7-19-13)16-12-6-5-9(8-10(12)14)20(15,17)18/h3-8,11,16H,2H2,1H3,(H2,15,17,18)
InChIKeyGLZPJXBGAGMPLJ-UHFFFAOYSA-N
XLogP3.25
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62634130
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
4-[[1-(furan-2-yl)propylamino]methyl]benzenesulfonamide
CID 62632675
3-bromo-4-(propan-2-ylamino)benzenesulfonamide
CID 43745736
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
CID 62631473
3-bromo-4-(pentan-2-ylamino)benzenesulfonamide
CID 43745707
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide (CID 62632723) is 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide is CCC(Nc1ccc(S(N)(=O)=O)cc1Br)c1ccco1.
What is the InChIKey of 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide?
The InChIKey is GLZPJXBGAGMPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-2-11(13-4-3-7-19-13)16-12-6-5-9(8-10(12)14)20(15,17)18/h3-8,11,16H,2H2,1H3,(H2,15,17,18).
What are the key properties of 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide?
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide is sourced from PubChem (CID 62632723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).