2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide

C12H18F2N2O2S — CID 106333847

IUPAC2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)c1cc(F)c(C)cc1F
InChIInChI=1S/C12H18F2N2O2S/c1-8-6-12(14)10(7-11(8)13)9(2)16-4-5-19(17,18)15-3/h6-7,9,15-16H,4-5H2,1-3H3
InChIKeyRSUNTIOWHNSKCU-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.47
Rot. Bonds6

About 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide

2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide (PubChem CID 106333847) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide
PubChem CID106333847
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)c1cc(F)c(C)cc1F
InChIInChI=1S/C12H18F2N2O2S/c1-8-6-12(14)10(7-11(8)13)9(2)16-4-5-19(17,18)15-3/h6-7,9,15-16H,4-5H2,1-3H3
InChIKeyRSUNTIOWHNSKCU-UHFFFAOYSA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate
CID 83210980
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80681764
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396288
N-methyl-2-(1-pyridin-4-ylethylamino)ethanesulfonamide
CID 102676244
N-methyl-2-[1-(2-nitrophenyl)ethylamino]ethanesulfonamide
CID 102676019
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
N-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethanesulfonamide
CID 102676143
2-[[1-(2,5-difluoro-4-methylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 106251865
2-[1-(2,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901862
N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
CID 102676086

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide?
The IUPAC name of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide (CID 106333847) is 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC(C)c1cc(F)c(C)cc1F.
What is the InChIKey of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide?
The InChIKey is RSUNTIOWHNSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-8-6-12(14)10(7-11(8)13)9(2)16-4-5-19(17,18)15-3/h6-7,9,15-16H,4-5H2,1-3H3.
What are the key properties of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide?
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide is sourced from PubChem (CID 106333847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).