[2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium

C15H16Cl2N3O2S+ — CID 20734094

IUPAC[2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium
SMILESCN(C)c1ccc(N=[NH2+])c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O2S/c1-20(2)12-5-6-14(19-18)15(8-12)23(21,22)9-10-3-4-11(16)7-13(10)17/h3-8,18H,9H2,1-2H3/p+1
InChIKeyBXIVYZFICULNGB-UHFFFAOYSA-O
MW373.29 g/mol
LogP2.88
Rot. Bonds5

About [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium

[2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium (PubChem CID 20734094) has the molecular formula C15H16Cl2N3O2S+ and a molecular weight of 373.29 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium
PubChem CID20734094
Molecular FormulaC15H16Cl2N3O2S+
Molecular Weight373.29 g/mol
Exact Mass372.03
IUPAC Name[2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium
SMILESCN(C)c1ccc(N=[NH2+])c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O2S/c1-20(2)12-5-6-14(19-18)15(8-12)23(21,22)9-10-3-4-11(16)7-13(10)17/h3-8,18H,9H2,1-2H3/p+1
InChIKeyBXIVYZFICULNGB-UHFFFAOYSA-O
XLogP2.88
TPSA75.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium (CID 20734094) is [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium is CN(C)c1ccc(N=[NH2+])c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium?
The InChIKey is BXIVYZFICULNGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-20(2)12-5-6-14(19-18)15(8-12)23(21,22)9-10-3-4-11(16)7-13(10)17/h3-8,18H,9H2,1-2H3/p+1.
What are the key properties of [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium?
[2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium has a molecular weight of 373.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium is sourced from PubChem (CID 20734094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).