[amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium

C11H10ClN2O2S2+ — CID 4287481

IUPAC[amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium
SMILESNC(=[NH+]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S2/c12-9-6-7-10(17-9)18(15,16)14-11(13)8-4-2-1-3-5-8/h1-7H,(H2,13,14)/p+1
InChIKeyDIMKDCIIYCUACE-UHFFFAOYSA-O
MW301.80 g/mol
LogP0.58
Rot. Bonds3

About [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium

[amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium (PubChem CID 4287481) has the molecular formula C11H10ClN2O2S2+ and a molecular weight of 301.80 g/mol. Its IUPAC name is [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium.

Molecular Properties

Compound Name[amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium
PubChem CID4287481
Molecular FormulaC11H10ClN2O2S2+
Molecular Weight301.80 g/mol
Exact Mass300.99
IUPAC Name[amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium
SMILESNC(=[NH+]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S2/c12-9-6-7-10(17-9)18(15,16)14-11(13)8-4-2-1-3-5-8/h1-7H,(H2,13,14)/p+1
InChIKeyDIMKDCIIYCUACE-UHFFFAOYSA-O
XLogP0.58
TPSA74.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium?
The IUPAC name of [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium (CID 4287481) is [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium.
What is the SMILES notation for [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium?
The canonical SMILES for [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium is NC(=[NH+]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium?
The InChIKey is DIMKDCIIYCUACE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9ClN2O2S2/c12-9-6-7-10(17-9)18(15,16)14-11(13)8-4-2-1-3-5-8/h1-7H,(H2,13,14)/p+1.
What are the key properties of [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium?
[amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium has a molecular weight of 301.80 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium is sourced from PubChem (CID 4287481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).