N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide

C14H11FN2OS — CID 10636047

IUPACN-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide
SMILESO=CN/N=C/c1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2OS/c15-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)9-16-17-10-18/h1-10H,(H,17,18)/b16-9+
InChIKeyCDXUJBOTPYEPLL-CXUHLZMHSA-N
MW274.32 g/mol
LogP3.06
Rot. Bonds5

About N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide

N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide (PubChem CID 10636047) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide
PubChem CID10636047
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC NameN-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide
SMILESO=CN/N=C/c1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2OS/c15-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)9-16-17-10-18/h1-10H,(H,17,18)/b16-9+
InChIKeyCDXUJBOTPYEPLL-CXUHLZMHSA-N
XLogP3.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide?
The IUPAC name of N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide (CID 10636047) is N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide.
What is the SMILES notation for N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide?
The canonical SMILES for N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide is O=CN/N=C/c1ccc(Sc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide?
The InChIKey is CDXUJBOTPYEPLL-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)9-16-17-10-18/h1-10H,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide?
N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide has a molecular weight of 274.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]formamide is sourced from PubChem (CID 10636047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).