4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide

C22H23F3N4O2S — CID 142582643

IUPAC4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCN(c3ncnc4ccc(C(F)(F)F)cc34)C2)cc1
InChIInChI=1S/C22H23F3N4O2S/c1-15-4-7-18(8-5-15)32(30,31)28-12-16-3-2-10-29(13-16)21-19-11-17(22(23,24)25)6-9-20(19)26-14-27-21/h4-9,11,14,16,28H,2-3,10,12-13H2,1H3
InChIKeySTHGGMLZKOKFID-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.15
Rot. Bonds5

About 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide

4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 142582643) has the molecular formula C22H23F3N4O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID142582643
Molecular FormulaC22H23F3N4O2S
Molecular Weight464.51 g/mol
Exact Mass464.15
IUPAC Name4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCN(c3ncnc4ccc(C(F)(F)F)cc34)C2)cc1
InChIInChI=1S/C22H23F3N4O2S/c1-15-4-7-18(8-5-15)32(30,31)28-12-16-3-2-10-29(13-16)21-19-11-17(22(23,24)25)6-9-20(19)26-14-27-21/h4-9,11,14,16,28H,2-3,10,12-13H2,1H3
InChIKeySTHGGMLZKOKFID-UHFFFAOYSA-N
XLogP4.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]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-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide (CID 142582643) is 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCCN(c3ncnc4ccc(C(F)(F)F)cc34)C2)cc1.
What is the InChIKey of 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is STHGGMLZKOKFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2S/c1-15-4-7-18(8-5-15)32(30,31)28-12-16-3-2-10-29(13-16)21-19-11-17(22(23,24)25)6-9-20(19)26-14-27-21/h4-9,11,14,16,28H,2-3,10,12-13H2,1H3.
What are the key properties of 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide?
4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 464.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 142582643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).