5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide

C10H14F2N2O2S — CID 29269932

IUPAC5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C10H14F2N2O2S/c1-3-14(4-2)17(15,16)10-6-9(13)7(11)5-8(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeyONXXSPUXINEJDT-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.58
Rot. Bonds4

About 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide

5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide (PubChem CID 29269932) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
PubChem CID29269932
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C10H14F2N2O2S/c1-3-14(4-2)17(15,16)10-6-9(13)7(11)5-8(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeyONXXSPUXINEJDT-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79381757
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
5-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102990980
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
5-amino-2-chloro-N-(2-cyanoethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 61139848
5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63695748
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide (CID 29269932) is 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide?
The InChIKey is ONXXSPUXINEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-3-14(4-2)17(15,16)10-6-9(13)7(11)5-8(10)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide?
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 29269932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).