N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide

C14H13FN2O3S — CID 5407706

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ccccc2F)cc1
InChIInChI=1S/C14H13FN2O3S/c1-20-12-6-8-13(9-7-12)21(18,19)17-16-10-11-4-2-3-5-14(11)15/h2-10,17H,1H3/b16-10-
InChIKeyQIWGPSOGHBGJTG-YBEGLDIGSA-N
MW308.33 g/mol
LogP2.15
Rot. Bonds5

About N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide

N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 5407706) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
PubChem CID5407706
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ccccc2F)cc1
InChIInChI=1S/C14H13FN2O3S/c1-20-12-6-8-13(9-7-12)21(18,19)17-16-10-11-4-2-3-5-14(11)15/h2-10,17H,1H3/b16-10-
InChIKeyQIWGPSOGHBGJTG-YBEGLDIGSA-N
XLogP2.15
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide (CID 5407706) is N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\c2ccccc2F)cc1.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is QIWGPSOGHBGJTG-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-20-12-6-8-13(9-7-12)21(18,19)17-16-10-11-4-2-3-5-14(11)15/h2-10,17H,1H3/b16-10-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 308.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 5407706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).