5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide

C12H18ClFN2O3S — CID 63695748

IUPAC5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O3S/c1-3-16(5-6-19-4-2)20(17,18)12-8-11(15)10(14)7-9(12)13/h7-8H,3-6,15H2,1-2H3
InChIKeySXQJZYANRDKLNX-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.11
Rot. Bonds7

About 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 63695748) has the molecular formula C12H18ClFN2O3S and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID63695748
Molecular FormulaC12H18ClFN2O3S
Molecular Weight324.81 g/mol
Exact Mass324.07
IUPAC Name5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O3S/c1-3-16(5-6-19-4-2)20(17,18)12-8-11(15)10(14)7-9(12)13/h7-8H,3-6,15H2,1-2H3
InChIKeySXQJZYANRDKLNX-UHFFFAOYSA-N
XLogP2.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 63695748) is 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide is CCOCCN(CC)S(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is SXQJZYANRDKLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O3S/c1-3-16(5-6-19-4-2)20(17,18)12-8-11(15)10(14)7-9(12)13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 324.81 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63695748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).