5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide

C18H13F3N2O2S — CID 102382517

IUPAC5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c(/N=C/c3ccc(C(F)(F)F)cc3)cccc12
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)13-9-7-12(8-10-13)11-23-16-5-1-4-15-14(16)3-2-6-17(15)26(22,24)25/h1-11H,(H2,22,24,25)/b23-11+
InChIKeyWJVMUULJMJTKOG-FOKLQQMPSA-N
MW378.38 g/mol
LogP4.26
Rot. Bonds3

About 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide

5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide (PubChem CID 102382517) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide
PubChem CID102382517
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c(/N=C/c3ccc(C(F)(F)F)cc3)cccc12
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)13-9-7-12(8-10-13)11-23-16-5-1-4-15-14(16)3-2-6-17(15)26(22,24)25/h1-11H,(H2,22,24,25)/b23-11+
InChIKeyWJVMUULJMJTKOG-FOKLQQMPSA-N
XLogP4.26
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide (CID 102382517) is 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide is NS(=O)(=O)c1cccc2c(/N=C/c3ccc(C(F)(F)F)cc3)cccc12.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide?
The InChIKey is WJVMUULJMJTKOG-FOKLQQMPSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)13-9-7-12(8-10-13)11-23-16-5-1-4-15-14(16)3-2-6-17(15)26(22,24)25/h1-11H,(H2,22,24,25)/b23-11+.
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide?
5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide has a molecular weight of 378.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide is sourced from PubChem (CID 102382517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).