(NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide

C15H12F3NO3S — CID 135071907

IUPAC(NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO3S/c1-22-13-6-8-14(9-7-13)23(20,21)19-10-11-2-4-12(5-3-11)15(16,17)18/h2-10H,1H3/b19-10+
InChIKeyCYIDNCKOVFAOPT-VXLYETTFSA-N
MW343.33 g/mol
LogP3.52
Rot. Bonds4

About (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide

(NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (PubChem CID 135071907) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
PubChem CID135071907
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name(NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO3S/c1-22-13-6-8-14(9-7-13)23(20,21)19-10-11-2-4-12(5-3-11)15(16,17)18/h2-10H,1H3/b19-10+
InChIKeyCYIDNCKOVFAOPT-VXLYETTFSA-N
XLogP3.52
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
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 (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (CID 135071907) is (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is COc1ccc(S(=O)(=O)/N=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The InChIKey is CYIDNCKOVFAOPT-VXLYETTFSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-22-13-6-8-14(9-7-13)23(20,21)19-10-11-2-4-12(5-3-11)15(16,17)18/h2-10H,1H3/b19-10+.
What are the key properties of (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
(NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide has a molecular weight of 343.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is sourced from PubChem (CID 135071907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).