(1-phenylethylideneamino) benzenesulfonate

C14H13NO3S — CID 86155707

IUPAC(1-phenylethylideneamino) benzenesulfonate
SMILESCC(=NOS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c1-12(13-8-4-2-5-9-13)15-18-19(16,17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyQXZXESQACKRVDQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.82
Rot. Bonds4

About (1-phenylethylideneamino) benzenesulfonate

(1-phenylethylideneamino) benzenesulfonate (PubChem CID 86155707) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (1-phenylethylideneamino) benzenesulfonate.

Molecular Properties

Compound Name(1-phenylethylideneamino) benzenesulfonate
PubChem CID86155707
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(1-phenylethylideneamino) benzenesulfonate
SMILESCC(=NOS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c1-12(13-8-4-2-5-9-13)15-18-19(16,17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyQXZXESQACKRVDQ-UHFFFAOYSA-N
XLogP2.82
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-thiophen-2-ylethylideneamino) benzenesulfonate
CID 87078851
[(E)-[(6E)-4,6-bis(benzenesulfonyloxyimino)heptan-2-ylidene]amino] benzenesulfonate
CID 87328764
[1-(3-cyano-1-methylpyrrol-2-yl)ethylideneamino] benzenesulfonate
CID 140887393
(3-oxopentan-2-ylideneamino) benzenesulfonate
CID 173378620
[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate
CID 135671994
[1-(4-phenylphenyl)ethylideneamino] methanesulfonate
CID 88574998
[[1-(benzenesulfonyloxyimino)-1-phenylpentan-3-ylidene]amino] benzenesulfonate
CID 87327794
(4-oxohexan-2-ylideneamino) benzenesulfonate
CID 173378651
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
[(4-oxo-1,4-diphenylbutylidene)amino] benzenesulfonate
CID 123773464
[(E)-3-oxohexan-2-ylideneamino] benzenesulfonate
CID 88531734
nitroso benzenesulfonate
CID 88672539

Frequently Asked Questions

What is the IUPAC name of (1-phenylethylideneamino) benzenesulfonate?
The IUPAC name of (1-phenylethylideneamino) benzenesulfonate (CID 86155707) is (1-phenylethylideneamino) benzenesulfonate.
What is the SMILES notation for (1-phenylethylideneamino) benzenesulfonate?
The canonical SMILES for (1-phenylethylideneamino) benzenesulfonate is CC(=NOS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-phenylethylideneamino) benzenesulfonate?
The InChIKey is QXZXESQACKRVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-12(13-8-4-2-5-9-13)15-18-19(16,17)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of (1-phenylethylideneamino) benzenesulfonate?
(1-phenylethylideneamino) benzenesulfonate has a molecular weight of 275.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylethylideneamino) benzenesulfonate is sourced from PubChem (CID 86155707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).