2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide

C14H12F3NO2S — CID 2572415

IUPAC2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-9-2-4-10(5-3-9)8-18-21(19,20)12-7-6-11(15)13(16)14(12)17/h2-7,18H,8H2,1H3
InChIKeyOCCVTDVADCGAAD-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.89
Rot. Bonds4

About 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide

2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 2572415) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID2572415
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-9-2-4-10(5-3-9)8-18-21(19,20)12-7-6-11(15)13(16)14(12)17/h2-7,18H,8H2,1H3
InChIKeyOCCVTDVADCGAAD-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3477132
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzoate
CID 43015212
N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112069
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2,3,4-trifluoro-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 71881748
N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide
CID 17469437
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 2572415) is 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is OCCVTDVADCGAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-9-2-4-10(5-3-9)8-18-21(19,20)12-7-6-11(15)13(16)14(12)17/h2-7,18H,8H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide?
2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2572415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).