3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide

C15H23ClN2O3S — CID 75383000

IUPAC3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H23ClN2O3S/c1-12(13-5-9-21-10-6-13)17-7-8-18-22(19,20)15-4-2-3-14(16)11-15/h2-4,11-13,17-18H,5-10H2,1H3
InChIKeyWEZJULHXRCRBLZ-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.02
Rot. Bonds7

About 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide

3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 75383000) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID75383000
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H23ClN2O3S/c1-12(13-5-9-21-10-6-13)17-7-8-18-22(19,20)15-4-2-3-14(16)11-15/h2-4,11-13,17-18H,5-10H2,1H3
InChIKeyWEZJULHXRCRBLZ-UHFFFAOYSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide (CID 75383000) is 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide is CC(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1.
What is the InChIKey of 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is WEZJULHXRCRBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-12(13-5-9-21-10-6-13)17-7-8-18-22(19,20)15-4-2-3-14(16)11-15/h2-4,11-13,17-18H,5-10H2,1H3.
What are the key properties of 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 346.88 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 75383000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).