4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide

C13H10ClFN2O2S — CID 874024

IUPAC4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN2O2S/c14-11-4-6-13(7-5-11)20(18,19)17-16-9-10-2-1-3-12(15)8-10/h1-9,17H
InChIKeyRJILUDDKXWSHJZ-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.79
Rot. Bonds4

About 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide

4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide (PubChem CID 874024) has the molecular formula C13H10ClFN2O2S and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
PubChem CID874024
Molecular FormulaC13H10ClFN2O2S
Molecular Weight312.75 g/mol
Exact Mass312.01
IUPAC Name4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClFN2O2S/c14-11-4-6-13(7-5-11)20(18,19)17-16-9-10-2-1-3-12(15)8-10/h1-9,17H
InChIKeyRJILUDDKXWSHJZ-UHFFFAOYSA-N
XLogP2.79
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.79
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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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525501
N-[(E)-(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517477
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
4-chloro-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516223
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 22780577
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 4167006
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525499
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide (CID 874024) is 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is RJILUDDKXWSHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2S/c14-11-4-6-13(7-5-11)20(18,19)17-16-9-10-2-1-3-12(15)8-10/h1-9,17H.
What are the key properties of 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 312.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 874024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).