N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide

C23H24F3N5O3S — CID 3055246

IUPACN,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)CC1
InChIInChI=1S/C23H24F3N5O3S/c1-29(2)35(33,34)31-13-11-30(12-14-31)22(32)16-3-6-18(7-4-16)28-20-9-10-27-21-15-17(23(24,25)26)5-8-19(20)21/h3-10,15H,11-14H2,1-2H3,(H,27,28)
InChIKeySUQWLSDRZTXODO-UHFFFAOYSA-N
MW507.54 g/mol
LogP3.56
Rot. Bonds5

About N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide (PubChem CID 3055246) has the molecular formula C23H24F3N5O3S and a molecular weight of 507.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide
PubChem CID3055246
Molecular FormulaC23H24F3N5O3S
Molecular Weight507.54 g/mol
Exact Mass507.16
IUPAC NameN,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)CC1
InChIInChI=1S/C23H24F3N5O3S/c1-29(2)35(33,34)31-13-11-30(12-14-31)22(32)16-3-6-18(7-4-16)28-20-9-10-27-21-15-17(23(24,25)26)5-8-19(20)21/h3-10,15H,11-14H2,1-2H3,(H,27,28)
InChIKeySUQWLSDRZTXODO-UHFFFAOYSA-N
XLogP3.56
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide 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

N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314810
N-[4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314901
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
N-cyclohexyl-N-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonamide
CID 34107789
[1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethylideneamino]thiourea
CID 91382598
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086
N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 164852738
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[7-(trifluoromethyl)quinolin-4-yl]benzamide
CID 164852755

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide (CID 3055246) is N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide?
The InChIKey is SUQWLSDRZTXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3S/c1-29(2)35(33,34)31-13-11-30(12-14-31)22(32)16-3-6-18(7-4-16)28-20-9-10-27-21-15-17(23(24,25)26)5-8-19(20)21/h3-10,15H,11-14H2,1-2H3,(H,27,28).
What are the key properties of N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide has a molecular weight of 507.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 3055246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).