2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride

C12H19ClF2N2O3S — CID 120717697

IUPAC2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(C)c(F)cc1F.Cl
InChIInChI=1S/C12H18F2N2O3S.ClH/c1-9-7-12(11(14)8-10(9)13)20(17,18)16-4-3-15-5-6-19-2;/h7-8,15-16H,3-6H2,1-2H3;1H
InChIKeySYSZEFLUPBCNEK-UHFFFAOYSA-N
MW344.81 g/mol
LogP1.21
Rot. Bonds8

About 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride

2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 120717697) has the molecular formula C12H19ClF2N2O3S and a molecular weight of 344.81 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
PubChem CID120717697
Molecular FormulaC12H19ClF2N2O3S
Molecular Weight344.81 g/mol
Exact Mass344.08
IUPAC Name2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(C)c(F)cc1F.Cl
InChIInChI=1S/C12H18F2N2O3S.ClH/c1-9-7-12(11(14)8-10(9)13)20(17,18)16-4-3-15-5-6-19-2;/h7-8,15-16H,3-6H2,1-2H3;1H
InChIKeySYSZEFLUPBCNEK-UHFFFAOYSA-N
XLogP1.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
N-[2-(2-methoxyethylamino)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120717643
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717462
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 120717735
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride (CID 120717697) is 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cc(C)c(F)cc1F.Cl.
What is the InChIKey of 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is SYSZEFLUPBCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3S.ClH/c1-9-7-12(11(14)8-10(9)13)20(17,18)16-4-3-15-5-6-19-2;/h7-8,15-16H,3-6H2,1-2H3;1H.
What are the key properties of 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride?
2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 344.81 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).