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

C13H15BrN2O3S — CID 63085665

IUPAC3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
SMILESCC(Cc1ccco1)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C13H15BrN2O3S/c1-9(7-10-3-2-6-19-10)16-13-5-4-11(8-12(13)14)20(15,17)18/h2-6,8-9,16H,7H2,1H3,(H2,15,17,18)
InChIKeyAKFSDALSGPDZAP-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.73
Rot. Bonds5

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

3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide (PubChem CID 63085665) 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)propan-2-ylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
PubChem CID63085665
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
SMILESCC(Cc1ccco1)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C13H15BrN2O3S/c1-9(7-10-3-2-6-19-10)16-13-5-4-11(8-12(13)14)20(15,17)18/h2-6,8-9,16H,7H2,1H3,(H2,15,17,18)
InChIKeyAKFSDALSGPDZAP-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
3-bromo-4-(pentan-2-ylamino)benzenesulfonamide
CID 43745707
3-bromo-4-(propan-2-ylamino)benzenesulfonamide
CID 43745736
6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63085271
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
CID 103286859
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
3-amino-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 61471368
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide (CID 63085665) is 3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide is CC(Cc1ccco1)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
The InChIKey is AKFSDALSGPDZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-9(7-10-3-2-6-19-10)16-13-5-4-11(8-12(13)14)20(15,17)18/h2-6,8-9,16H,7H2,1H3,(H2,15,17,18).
What are the key properties of 3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.73, 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)propan-2-ylamino]benzenesulfonamide is sourced from PubChem (CID 63085665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).