5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide

C11H16F2N2O3S — CID 81052882

IUPAC5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H16F2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-7-10(14)8(12)6-9(11)13/h6-7H,3-5,14H2,1-2H3
InChIKeyZRYVDZQQWNNOME-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.20
Rot. Bonds6

About 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide

5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 81052882) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID81052882
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H16F2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-7-10(14)8(12)6-9(11)13/h6-7H,3-5,14H2,1-2H3
InChIKeyZRYVDZQQWNNOME-UHFFFAOYSA-N
XLogP1.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
N-(2-ethoxyethyl)-2-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81074458
5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63695748
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63206562
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-(aminomethyl)-N-(2-ethoxyethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 81058611
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 81052882) is 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is ZRYVDZQQWNNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-7-10(14)8(12)6-9(11)13/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide?
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 81052882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).