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

C15H12F3NO2S — CID 720211

IUPAC4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-12-4-6-13(7-5-12)15(16,17)18/h2-10H,1H3
InChIKeyPORBHQWXDLUOLN-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.82
Rot. Bonds3

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

4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (PubChem CID 720211) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
PubChem CID720211
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC Name4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-12-4-6-13(7-5-12)15(16,17)18/h2-10H,1H3
InChIKeyPORBHQWXDLUOLN-UHFFFAOYSA-N
XLogP3.82
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
(NZ)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 110518853
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide
CID 134998059
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
(E)-2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 2714229
4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
CID 693815
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide (CID 720211) is 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
The InChIKey is PORBHQWXDLUOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-12-4-6-13(7-5-12)15(16,17)18/h2-10H,1H3.
What are the key properties of 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide?
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide has a molecular weight of 327.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide is sourced from PubChem (CID 720211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).