N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

C15H15FN2O2S — CID 6906742

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O2S/c1-11-3-4-12(2)15(9-11)21(19,20)18-17-10-13-5-7-14(16)8-6-13/h3-10,18H,1-2H3/b17-10+
InChIKeyITBCGXKWPUNQKR-LICLKQGHSA-N
MW306.36 g/mol
LogP2.75
Rot. Bonds4

About N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 6906742) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID6906742
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O2S/c1-11-3-4-12(2)15(9-11)21(19,20)18-17-10-13-5-7-14(16)8-6-13/h3-10,18H,1-2H3/b17-10+
InChIKeyITBCGXKWPUNQKR-LICLKQGHSA-N
XLogP2.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (CID 6906742) is N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(F)cc2)c1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is ITBCGXKWPUNQKR-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-11-3-4-12(2)15(9-11)21(19,20)18-17-10-13-5-7-14(16)8-6-13/h3-10,18H,1-2H3/b17-10+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 6906742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).