4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide

C14H10ClF3N2O2S — CID 1349846

IUPAC4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O2S/c15-11-5-7-12(8-6-11)23(21,22)20-19-9-10-3-1-2-4-13(10)14(16,17)18/h1-9,20H
InChIKeyQFRDUGNIXDGRQS-UHFFFAOYSA-N
MW362.76 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide

4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 1349846) has the molecular formula C14H10ClF3N2O2S and a molecular weight of 362.76 g/mol. Its IUPAC name is 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
PubChem CID1349846
Molecular FormulaC14H10ClF3N2O2S
Molecular Weight362.76 g/mol
Exact Mass362.01
IUPAC Name4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O2S/c15-11-5-7-12(8-6-11)23(21,22)20-19-9-10-3-1-2-4-13(10)14(16,17)18/h1-9,20H
InChIKeyQFRDUGNIXDGRQS-UHFFFAOYSA-N
XLogP3.67
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 53.67
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

4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 2332306
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
4-chloro-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 135647860
N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 6079733
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 136697043
4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 5233908
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516226
3-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-N,2-dihydroxybenzeneamine oxide
CID 135800995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide (CID 1349846) is 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is QFRDUGNIXDGRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2S/c15-11-5-7-12(8-6-11)23(21,22)20-19-9-10-3-1-2-4-13(10)14(16,17)18/h1-9,20H.
What are the key properties of 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 362.76 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1349846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).