5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide

C13H15FN2O3S — CID 79055174

IUPAC5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2cc(C)cc(F)c2)o1
InChIInChI=1S/C13H15FN2O3S/c1-9-5-10(14)7-11(6-9)16-8-12-3-4-13(19-12)20(17,18)15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyRCQUEWCXGHDJIB-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.25
Rot. Bonds5

About 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide

5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide (PubChem CID 79055174) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
PubChem CID79055174
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2cc(C)cc(F)c2)o1
InChIInChI=1S/C13H15FN2O3S/c1-9-5-10(14)7-11(6-9)16-8-12-3-4-13(19-12)20(17,18)15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyRCQUEWCXGHDJIB-UHFFFAOYSA-N
XLogP2.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-3-methoxyanilino)methyl]-N-methylfuran-2-sulfonamide
CID 82859710
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
3,5-difluoro-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]aniline
CID 71998042
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81369614
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide
CID 107633329

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide (CID 79055174) is 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(CNc2cc(C)cc(F)c2)o1.
What is the InChIKey of 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide?
The InChIKey is RCQUEWCXGHDJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9-5-10(14)7-11(6-9)16-8-12-3-4-13(19-12)20(17,18)15-2/h3-7,15-16H,8H2,1-2H3.
What are the key properties of 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide?
5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide has a molecular weight of 298.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 79055174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).