[amino(phenyl)methylidene]-(benzenesulfonyl)azanium

C13H13N2O2S+ — CID 3252215

IUPAC[amino(phenyl)methylidene]-(benzenesulfonyl)azanium
SMILESNC(=[NH+]S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)/p+1
InChIKeyLPXRFQYPABSWTF-UHFFFAOYSA-O
MW261.33 g/mol
LogP-0.14
Rot. Bonds3

About [amino(phenyl)methylidene]-(benzenesulfonyl)azanium

[amino(phenyl)methylidene]-(benzenesulfonyl)azanium (PubChem CID 3252215) has the molecular formula C13H13N2O2S+ and a molecular weight of 261.33 g/mol. Its IUPAC name is [amino(phenyl)methylidene]-(benzenesulfonyl)azanium.

Molecular Properties

Compound Name[amino(phenyl)methylidene]-(benzenesulfonyl)azanium
PubChem CID3252215
Molecular FormulaC13H13N2O2S+
Molecular Weight261.33 g/mol
Exact Mass261.07
IUPAC Name[amino(phenyl)methylidene]-(benzenesulfonyl)azanium
SMILESNC(=[NH+]S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)/p+1
InChIKeyLPXRFQYPABSWTF-UHFFFAOYSA-O
XLogP-0.14
TPSA74.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7048923
benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium
CID 4295164
benzenesulfonic acid
CID 87196622
1,2-diphenylethene-1,2-diamine;sulfuric acid
CID 70255418
potassium benzenesulfonic acid
CID 19930600
benzenesulfonic acid;silane
CID 175365915
benzenesulfonic acid;manganese
CID 87184776
benzenesulfonic acid;mercury(1+);hydrate
CID 21150893
tricalcium;benzenesulfonic acid;hydride
CID 173198982
benzenesulfonic acid;formamide
CID 161208956
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
benzenesulfonic acid;benzoic acid;ethane-1,2-diol
CID 90415206

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methylidene]-(benzenesulfonyl)azanium?
The IUPAC name of [amino(phenyl)methylidene]-(benzenesulfonyl)azanium (CID 3252215) is [amino(phenyl)methylidene]-(benzenesulfonyl)azanium.
What is the SMILES notation for [amino(phenyl)methylidene]-(benzenesulfonyl)azanium?
The canonical SMILES for [amino(phenyl)methylidene]-(benzenesulfonyl)azanium is NC(=[NH+]S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [amino(phenyl)methylidene]-(benzenesulfonyl)azanium?
The InChIKey is LPXRFQYPABSWTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N2O2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)/p+1.
What are the key properties of [amino(phenyl)methylidene]-(benzenesulfonyl)azanium?
[amino(phenyl)methylidene]-(benzenesulfonyl)azanium has a molecular weight of 261.33 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methylidene]-(benzenesulfonyl)azanium is sourced from PubChem (CID 3252215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).