[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium

C17H19ClN3O3S+ — CID 20734109

IUPAC[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium
SMILES[NH2+]=Nc1ccc(N2CCOCC2)cc1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3S/c18-15-4-2-1-3-13(15)12-25(22,23)17-11-14(5-6-16(17)20-19)21-7-9-24-10-8-21/h1-6,11,19H,7-10,12H2/p+1
InChIKeyDIECTMJTMCDLJB-UHFFFAOYSA-O
MW380.88 g/mol
LogP1.99
Rot. Bonds5

About [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium

[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium (PubChem CID 20734109) has the molecular formula C17H19ClN3O3S+ and a molecular weight of 380.88 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium
PubChem CID20734109
Molecular FormulaC17H19ClN3O3S+
Molecular Weight380.88 g/mol
Exact Mass380.08
IUPAC Name[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium
SMILES[NH2+]=Nc1ccc(N2CCOCC2)cc1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3S/c18-15-4-2-1-3-13(15)12-25(22,23)17-11-14(5-6-16(17)20-19)21-7-9-24-10-8-21/h1-6,11,19H,7-10,12H2/p+1
InChIKeyDIECTMJTMCDLJB-UHFFFAOYSA-O
XLogP1.99
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium?
The IUPAC name of [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium (CID 20734109) is [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium.
What is the SMILES notation for [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium?
The canonical SMILES for [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium is [NH2+]=Nc1ccc(N2CCOCC2)cc1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium?
The InChIKey is DIECTMJTMCDLJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClN3O3S/c18-15-4-2-1-3-13(15)12-25(22,23)17-11-14(5-6-16(17)20-19)21-7-9-24-10-8-21/h1-6,11,19H,7-10,12H2/p+1.
What are the key properties of [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium?
[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium has a molecular weight of 380.88 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium is sourced from PubChem (CID 20734109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).