4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C26H21F3N2O2S — CID 154717827

IUPAC4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2cc(C(F)(F)F)ccc2-c2ccccn2)cc1
InChIInChI=1S/C26H21F3N2O2S/c1-18-10-13-21(14-11-18)34(32,33)31-25(19-7-3-2-4-8-19)23-17-20(26(27,28)29)12-15-22(23)24-9-5-6-16-30-24/h2-17,25,31H,1H3
InChIKeyYJHKVDAADYMAOH-UHFFFAOYSA-N
MW482.53 g/mol
LogP6.14
Rot. Bonds6

About 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 154717827) has the molecular formula C26H21F3N2O2S and a molecular weight of 482.53 g/mol. Its IUPAC name is 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID154717827
Molecular FormulaC26H21F3N2O2S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC Name4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2cc(C(F)(F)F)ccc2-c2ccccn2)cc1
InChIInChI=1S/C26H21F3N2O2S/c1-18-10-13-21(14-11-18)34(32,33)31-25(19-7-3-2-4-8-19)23-17-20(26(27,28)29)12-15-22(23)24-9-5-6-16-30-24/h2-17,25,31H,1H3
InChIKeyYJHKVDAADYMAOH-UHFFFAOYSA-N
XLogP6.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 154717827) is 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2cc(C(F)(F)F)ccc2-c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is YJHKVDAADYMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2S/c1-18-10-13-21(14-11-18)34(32,33)31-25(19-7-3-2-4-8-19)23-17-20(26(27,28)29)12-15-22(23)24-9-5-6-16-30-24/h2-17,25,31H,1H3.
What are the key properties of 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 482.53 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[phenyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 154717827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).