3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide

C18H20ClF3N4O3S — CID 55637530

IUPAC3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
SMILESCN(C)c1cc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H20ClF3N4O3S/c1-26(2)16-9-12(5-7-23-16)11-24-17(27)6-8-25-30(28,29)13-3-4-15(19)14(10-13)18(20,21)22/h3-5,7,9-10,25H,6,8,11H2,1-2H3,(H,24,27)
InChIKeyYNBZFJJJAKXKJE-UHFFFAOYSA-N
MW464.90 g/mol
LogP2.80
Rot. Bonds8

About 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide (PubChem CID 55637530) has the molecular formula C18H20ClF3N4O3S and a molecular weight of 464.90 g/mol. Its IUPAC name is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
PubChem CID55637530
Molecular FormulaC18H20ClF3N4O3S
Molecular Weight464.90 g/mol
Exact Mass464.09
IUPAC Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
SMILESCN(C)c1cc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H20ClF3N4O3S/c1-26(2)16-9-12(5-7-23-16)11-24-17(27)6-8-25-30(28,29)13-3-4-15(19)14(10-13)18(20,21)22/h3-5,7,9-10,25H,6,8,11H2,1-2H3,(H,24,27)
InChIKeyYNBZFJJJAKXKJE-UHFFFAOYSA-N
XLogP2.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.90
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide 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

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(N-methylanilino)ethyl]propanamide
CID 55447360
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 112842777
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 55331582
4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 27661736
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide
CID 55457674
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
CID 4843823
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide?
The IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide (CID 55637530) is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide is CN(C)c1cc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide?
The InChIKey is YNBZFJJJAKXKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O3S/c1-26(2)16-9-12(5-7-23-16)11-24-17(27)6-8-25-30(28,29)13-3-4-15(19)14(10-13)18(20,21)22/h3-5,7,9-10,25H,6,8,11H2,1-2H3,(H,24,27).
What are the key properties of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide?
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide has a molecular weight of 464.90 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55637530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).