3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide

C22H18F6N2O2S — CID 145434126

IUPAC3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F6N2O2S/c1-20(2,30-33(31,32)18-8-4-7-17(13-18)21(23,24)25)16-6-3-5-14(11-16)15-9-10-29-19(12-15)22(26,27)28/h3-13,30H,1-2H3
InChIKeyMTYQUPRRLPYEHL-UHFFFAOYSA-N
MW488.45 g/mol
LogP6.00
Rot. Bonds5

About 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide

3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide (PubChem CID 145434126) has the molecular formula C22H18F6N2O2S and a molecular weight of 488.45 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide
PubChem CID145434126
Molecular FormulaC22H18F6N2O2S
Molecular Weight488.45 g/mol
Exact Mass488.10
IUPAC Name3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F6N2O2S/c1-20(2,30-33(31,32)18-8-4-7-17(13-18)21(23,24)25)16-6-3-5-14(11-16)15-9-10-29-19(12-15)22(26,27)28/h3-13,30H,1-2H3
InChIKeyMTYQUPRRLPYEHL-UHFFFAOYSA-N
XLogP6.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.45
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]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

2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61263607
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate
CID 46741398
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88932695
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967753
3-[4-[4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
CID 57469114
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2824424
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide (CID 145434126) is 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide is CC(C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide?
The InChIKey is MTYQUPRRLPYEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N2O2S/c1-20(2,30-33(31,32)18-8-4-7-17(13-18)21(23,24)25)16-6-3-5-14(11-16)15-9-10-29-19(12-15)22(26,27)28/h3-13,30H,1-2H3.
What are the key properties of 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide?
3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide has a molecular weight of 488.45 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[2-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 145434126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).