N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide

C11H16F2N2O3S — CID 102704669

IUPACN-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(F)F)c(OC)c1
InChIInChI=1S/C11H16F2N2O3S/c1-14-6-8-3-4-10(9(5-8)18-2)19(16,17)15-7-11(12)13/h3-5,11,14-15H,6-7H2,1-2H3
InChIKeyKPHMEGZBHMAZHZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.96
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide

N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 102704669) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
PubChem CID102704669
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC NameN-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(F)F)c(OC)c1
InChIInChI=1S/C11H16F2N2O3S/c1-14-6-8-3-4-10(9(5-8)18-2)19(16,17)15-7-11(12)13/h3-5,11,14-15H,6-7H2,1-2H3
InChIKeyKPHMEGZBHMAZHZ-UHFFFAOYSA-N
XLogP0.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide (CID 102704669) is N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCC(F)F)c(OC)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is KPHMEGZBHMAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-14-6-8-3-4-10(9(5-8)18-2)19(16,17)15-7-11(12)13/h3-5,11,14-15H,6-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102704669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).