5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide

C10H14ClFN2O3S — CID 43590963

IUPAC5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-2-17-4-3-14-18(15,16)9-6-7(13)5-8(11)10(9)12/h5-6,14H,2-4,13H2,1H3
InChIKeyBEWFCSGKLAXCOI-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.38
Rot. Bonds6

About 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide (PubChem CID 43590963) has the molecular formula C10H14ClFN2O3S and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
PubChem CID43590963
Molecular FormulaC10H14ClFN2O3S
Molecular Weight296.75 g/mol
Exact Mass296.04
IUPAC Name5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-2-17-4-3-14-18(15,16)9-6-7(13)5-8(11)10(9)12/h5-6,14H,2-4,13H2,1H3
InChIKeyBEWFCSGKLAXCOI-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.38
H-Bond Donors ≤ 52
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-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide (CID 43590963) is 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide is CCOCCNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide?
The InChIKey is BEWFCSGKLAXCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O3S/c1-2-17-4-3-14-18(15,16)9-6-7(13)5-8(11)10(9)12/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide has a molecular weight of 296.75 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43590963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).