2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C14H23FN2O3S — CID 81064533

IUPAC2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)CCOC(C)C)c(F)c1
InChIInChI=1S/C14H23FN2O3S/c1-11(2)20-8-7-17(4)21(18,19)14-6-5-12(10-16-3)9-13(14)15/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeySLKSDCGERLLWNL-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.59
Rot. Bonds8

About 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 81064533) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID81064533
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)CCOC(C)C)c(F)c1
InChIInChI=1S/C14H23FN2O3S/c1-11(2)20-8-7-17(4)21(18,19)14-6-5-12(10-16-3)9-13(14)15/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeySLKSDCGERLLWNL-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 79187110
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067996
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 79187326
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 79179197
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067632

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 81064533) is 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)CCOC(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is SLKSDCGERLLWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-11(2)20-8-7-17(4)21(18,19)14-6-5-12(10-16-3)9-13(14)15/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 81064533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).