2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide

C13H14F2N2O3S — CID 105120080

IUPAC2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)c(F)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C13H14F2N2O3S/c1-16-7-9-5-11(14)13(15)12(6-9)21(18,19)17-8-10-3-2-4-20-10/h2-6,16-17H,7-8H2,1H3
InChIKeyHFQRNEPDLSROBI-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.76
Rot. Bonds6

About 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide

2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 105120080) has the molecular formula C13H14F2N2O3S and a molecular weight of 316.33 g/mol. Its IUPAC name is 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
PubChem CID105120080
Molecular FormulaC13H14F2N2O3S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC Name2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)c(F)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C13H14F2N2O3S/c1-16-7-9-5-11(14)13(15)12(6-9)21(18,19)17-8-10-3-2-4-20-10/h2-6,16-17H,7-8H2,1H3
InChIKeyHFQRNEPDLSROBI-UHFFFAOYSA-N
XLogP1.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28718585
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466290
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 79179197
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004
2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363027
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18191791
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide (CID 105120080) is 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide is CNCc1cc(F)c(F)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is HFQRNEPDLSROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3S/c1-16-7-9-5-11(14)13(15)12(6-9)21(18,19)17-8-10-3-2-4-20-10/h2-6,16-17H,7-8H2,1H3.
What are the key properties of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide?
2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 316.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 105120080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).