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

C14H10F3NO2S — CID 2760734

IUPACN-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESO=S(=O)(N=Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)12-8-6-11(7-9-12)10-18-21(19,20)13-4-2-1-3-5-13/h1-10H
InChIKeyAGOLUPJVUZPQOE-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.51
Rot. Bonds3

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

N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (PubChem CID 2760734) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
PubChem CID2760734
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESO=S(=O)(N=Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)12-8-6-11(7-9-12)10-18-21(19,20)13-4-2-1-3-5-13/h1-10H
InChIKeyAGOLUPJVUZPQOE-UHFFFAOYSA-N
XLogP3.51
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
(NZ)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 110518853
N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
CID 155672633
N'-(benzenesulfonyl)methanimidamide
CID 69238367
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
hydrazine;sulfuric acid;trifluoromethylbenzene
CID 174887305
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (CID 2760734) is N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is O=S(=O)(N=Cc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The InChIKey is AGOLUPJVUZPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-14(16,17)12-8-6-11(7-9-12)10-18-21(19,20)13-4-2-1-3-5-13/h1-10H.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide has a molecular weight of 313.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is sourced from PubChem (CID 2760734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).