N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide

C13H15FN2O3S — CID 106031076

IUPACN-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(C)cc2F)o1
InChIInChI=1S/C13H15FN2O3S/c1-9-3-5-12(11(14)7-9)16-20(17,18)13-6-4-10(19-13)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyYOBPLSZCJHOYFJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.25
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106031076) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106031076
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(C)cc2F)o1
InChIInChI=1S/C13H15FN2O3S/c1-9-3-5-12(11(14)7-9)16-20(17,18)13-6-4-10(19-13)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyYOBPLSZCJHOYFJ-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

N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087052
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031041
N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106073903
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
CID 53175599
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
CID 106081269

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106031076) is N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccc(C)cc2F)o1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is YOBPLSZCJHOYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9-3-5-12(11(14)7-9)16-20(17,18)13-6-4-10(19-13)8-15-2/h3-7,15-16H,8H2,1-2H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-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 N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106031076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).