2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C13H18Cl2N2O3S — CID 3801591

IUPAC2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c14-11-2-3-13(12(15)10-11)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9H2
InChIKeyWVHPJBIDNBHVBY-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.99
Rot. Bonds6

About 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 3801591) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID3801591
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c14-11-2-3-13(12(15)10-11)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9H2
InChIKeyWVHPJBIDNBHVBY-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 51.99
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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Related Compounds

2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide
CID 18893217
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 3047039
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 3801591) is 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is WVHPJBIDNBHVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c14-11-2-3-13(12(15)10-11)21(18,19)16-4-1-5-17-6-8-20-9-7-17/h2-3,10,16H,1,4-9H2.
What are the key properties of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 353.27 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 3801591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).