N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide

C19H22F3N3O3S — CID 142707581

IUPACN-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)cc1NN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O3S/c1-28-18-10-9-15(24-29(26,27)16-7-3-2-4-8-16)12-17(18)23-25-11-5-6-14(13-25)19(20,21)22/h2-4,7-10,12,14,23-24H,5-6,11,13H2,1H3
InChIKeyCYGDMOMFFHVCLI-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.10
Rot. Bonds6

About N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide

N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide (PubChem CID 142707581) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide
PubChem CID142707581
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)cc1NN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O3S/c1-28-18-10-9-15(24-29(26,27)16-7-3-2-4-8-16)12-17(18)23-25-11-5-6-14(13-25)19(20,21)22/h2-4,7-10,12,14,23-24H,5-6,11,13H2,1H3
InChIKeyCYGDMOMFFHVCLI-UHFFFAOYSA-N
XLogP4.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]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 N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide (CID 142707581) is N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2)cc1NN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is CYGDMOMFFHVCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-28-18-10-9-15(24-29(26,27)16-7-3-2-4-8-16)12-17(18)23-25-11-5-6-14(13-25)19(20,21)22/h2-4,7-10,12,14,23-24H,5-6,11,13H2,1H3.
What are the key properties of N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide?
N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 429.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 142707581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).