[(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate

C8H8ClNO3S — CID 5386156

IUPAC[(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate
SMILESCS(=O)(=O)O/N=C(\Cl)c1ccccc1
InChIInChI=1S/C8H8ClNO3S/c1-14(11,12)13-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8-
InChIKeyFLHJOVVPAOPINL-NTMALXAHSA-N
MW233.68 g/mol
LogP1.56
Rot. Bonds3

About [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate

[(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate (PubChem CID 5386156) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate.

Molecular Properties

Compound Name[(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate
PubChem CID5386156
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name[(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate
SMILESCS(=O)(=O)O/N=C(\Cl)c1ccccc1
InChIInChI=1S/C8H8ClNO3S/c1-14(11,12)13-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8-
InChIKeyFLHJOVVPAOPINL-NTMALXAHSA-N
XLogP1.56
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate?
The IUPAC name of [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate (CID 5386156) is [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate.
What is the SMILES notation for [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate?
The canonical SMILES for [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate is CS(=O)(=O)O/N=C(\Cl)c1ccccc1.
What is the InChIKey of [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate?
The InChIKey is FLHJOVVPAOPINL-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-14(11,12)13-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8-.
What are the key properties of [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate?
[(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate has a molecular weight of 233.68 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate is sourced from PubChem (CID 5386156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).