5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide

C11H10BrFN2O3S — CID 107633329

IUPAC5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cc(F)ccc2Br)o1
InChIInChI=1S/C11H10BrFN2O3S/c12-9-3-1-7(13)5-10(9)15-6-8-2-4-11(18-8)19(14,16)17/h1-5,15H,6H2,(H2,14,16,17)
InChIKeySTVOTDRIWZYKPR-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.44
Rot. Bonds4

About 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide

5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide (PubChem CID 107633329) has the molecular formula C11H10BrFN2O3S and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide
PubChem CID107633329
Molecular FormulaC11H10BrFN2O3S
Molecular Weight349.18 g/mol
Exact Mass347.96
IUPAC Name5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cc(F)ccc2Br)o1
InChIInChI=1S/C11H10BrFN2O3S/c12-9-3-1-7(13)5-10(9)15-6-8-2-4-11(18-8)19(14,16)17/h1-5,15H,6H2,(H2,14,16,17)
InChIKeySTVOTDRIWZYKPR-UHFFFAOYSA-N
XLogP2.44
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
2-[(2-bromo-5-fluoroanilino)methyl]-3-chlorophenol
CID 107633445
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107633039
5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
CID 79055174
2-bromo-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914961
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
methyl 2-[(5-bromofuran-2-yl)methylamino]-4-fluorobenzoate
CID 43735182
1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107629618
2-bromo-5-chloro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 81271060
2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
CID 107626087

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide?
The IUPAC name of 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide (CID 107633329) is 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide is NS(=O)(=O)c1ccc(CNc2cc(F)ccc2Br)o1.
What is the InChIKey of 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide?
The InChIKey is STVOTDRIWZYKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O3S/c12-9-3-1-7(13)5-10(9)15-6-8-2-4-11(18-8)19(14,16)17/h1-5,15H,6H2,(H2,14,16,17).
What are the key properties of 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide?
5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide has a molecular weight of 349.18 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 107633329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).