2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide

C11H16ClFN2O2S — CID 43606596

IUPAC2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-2-14-6-3-7-15-18(16,17)11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyVLXRYTSGCXHXRZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.76
Rot. Bonds7

About 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide

2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide (PubChem CID 43606596) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
PubChem CID43606596
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-2-14-6-3-7-15-18(16,17)11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyVLXRYTSGCXHXRZ-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide (CID 43606596) is 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide is CCNCCCNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
The InChIKey is VLXRYTSGCXHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-2-14-6-3-7-15-18(16,17)11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide?
2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43606596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).