(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide

C14H10F3NO2S — CID 23240617

IUPAC(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)12-6-8-13(9-7-12)21(19,20)18-10-11-4-2-1-3-5-11/h1-10H/b18-10+
InChIKeyXTWTUTSGCIIWNO-VCHYOVAHSA-N
MW313.30 g/mol
LogP3.51
Rot. Bonds3

About (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide

(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 23240617) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
PubChem CID23240617
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)12-6-8-13(9-7-12)21(19,20)18-10-11-4-2-1-3-5-11/h1-10H/b18-10+
InChIKeyXTWTUTSGCIIWNO-VCHYOVAHSA-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 (NE)-N-benzylidene-4-(trifluoromethyl)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

N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
(NZ)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 110518853
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437
N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
CID 155672633
N'-(benzenesulfonyl)methanimidamide
CID 69238367
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032
[phenyl-bis[4-(trifluoromethyl)phenyl]-λ4-sulfanyl] 4-(trifluoromethyl)benzenesulfonate
CID 87484672
N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664

Frequently Asked Questions

What is the IUPAC name of (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide (CID 23240617) is (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(/N=C/c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XTWTUTSGCIIWNO-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-14(16,17)12-6-8-13(9-7-12)21(19,20)18-10-11-4-2-1-3-5-11/h1-10H/b18-10+.
What are the key properties of (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide?
(NE)-N-benzylidene-4-(trifluoromethyl)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 (NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23240617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).