4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

C13H13BrFNO3S — CID 116528376

IUPAC4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFNO3S/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(14)8-12(13)15/h2-6,8-9,16H,7H2,1H3
InChIKeyKCLALOKJGMMVCC-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.09
Rot. Bonds5

About 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (PubChem CID 116528376) has the molecular formula C13H13BrFNO3S and a molecular weight of 362.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
PubChem CID116528376
Molecular FormulaC13H13BrFNO3S
Molecular Weight362.22 g/mol
Exact Mass360.98
IUPAC Name4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFNO3S/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(14)8-12(13)15/h2-6,8-9,16H,7H2,1H3
InChIKeyKCLALOKJGMMVCC-UHFFFAOYSA-N
XLogP3.09
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 60652421
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
4-bromo-2-fluoro-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 116528688
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (CID 116528376) is 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is CC(Cc1ccco1)NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is KCLALOKJGMMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO3S/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(14)8-12(13)15/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 362.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 116528376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).