4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C13H19ClN2O3S — CID 2461433

IUPAC4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c14-12-2-4-13(5-3-12)20(17,18)15-6-1-7-16-8-10-19-11-9-16/h2-5,15H,1,6-11H2
InChIKeyBCSGQSUTVGWYDZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.34
Rot. Bonds6

About 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2461433) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2461433
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c14-12-2-4-13(5-3-12)20(17,18)15-6-1-7-16-8-10-19-11-9-16/h2-5,15H,1,6-11H2
InChIKeyBCSGQSUTVGWYDZ-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2461433) is 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is BCSGQSUTVGWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-12-2-4-13(5-3-12)20(17,18)15-6-1-7-16-8-10-19-11-9-16/h2-5,15H,1,6-11H2.
What are the key properties of 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2461433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).