benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium

C19H17N2O3S+ — CID 4295164

IUPACbenzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium
SMILESO=S(=O)([NH+]=C(Nc1ccc(O)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21-25(23,24)18-9-5-2-6-10-18/h1-14,22H,(H,20,21)/p+1
InChIKeyVDONTALRFFJUOH-UHFFFAOYSA-O
MW353.42 g/mol
LogP1.72
Rot. Bonds4

About benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium

benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium (PubChem CID 4295164) has the molecular formula C19H17N2O3S+ and a molecular weight of 353.42 g/mol. Its IUPAC name is benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium.

Molecular Properties

Compound Namebenzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium
PubChem CID4295164
Molecular FormulaC19H17N2O3S+
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Namebenzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium
SMILESO=S(=O)([NH+]=C(Nc1ccc(O)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21-25(23,24)18-9-5-2-6-10-18/h1-14,22H,(H,20,21)/p+1
InChIKeyVDONTALRFFJUOH-UHFFFAOYSA-O
XLogP1.72
TPSA80.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7048923
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N-phenyl-N'-sulfamoylbenzenecarboximidamide
CID 18723552
N,N-bis(4-hydroxyphenyl)benzenesulfonamide
CID 44580343
1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide
CID 4118590
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
2-[[4-(diaminomethylideneazaniumylsulfonyl)phenyl]carbamoyl]benzoate
CID 5084186
5-benzoyl-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 777098
benzene-1,4-diol;benzoic acid
CID 67019242

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium?
The IUPAC name of benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium (CID 4295164) is benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium.
What is the SMILES notation for benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium?
The canonical SMILES for benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium is O=S(=O)([NH+]=C(Nc1ccc(O)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium?
The InChIKey is VDONTALRFFJUOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N2O3S/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21-25(23,24)18-9-5-2-6-10-18/h1-14,22H,(H,20,21)/p+1.
What are the key properties of benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium?
benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium has a molecular weight of 353.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl-[(4-hydroxyanilino)-phenylmethylidene]azanium is sourced from PubChem (CID 4295164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).