N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide

C19H19ClF3N3O3S — CID 46772565

IUPACN-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1
InChIInChI=1S/C19H19ClF3N3O3S/c1-30(28,29)24-14-5-6-16(17(20)12-14)18(27)26-9-7-25(8-10-26)15-4-2-3-13(11-15)19(21,22)23/h2-6,11-12,24H,7-10H2,1H3
InChIKeyAHMXFFHPKCIFKB-UHFFFAOYSA-N
MW461.89 g/mol
LogP3.69
Rot. Bonds4

About N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 46772565) has the molecular formula C19H19ClF3N3O3S and a molecular weight of 461.89 g/mol. Its IUPAC name is N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID46772565
Molecular FormulaC19H19ClF3N3O3S
Molecular Weight461.89 g/mol
Exact Mass461.08
IUPAC NameN-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1
InChIInChI=1S/C19H19ClF3N3O3S/c1-30(28,29)24-14-5-6-16(17(20)12-14)18(27)26-9-7-25(8-10-26)15-4-2-3-13(11-15)19(21,22)23/h2-6,11-12,24H,7-10H2,1H3
InChIKeyAHMXFFHPKCIFKB-UHFFFAOYSA-N
XLogP3.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.89
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
CID 92677391
N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 67999107
(4-chloro-2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1321658
N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 43876499
4-chloro-N-(4-fluorophenyl)-N-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 4869923
[2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl] acetate
CID 5018131
4-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 18776283
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1485505
3-(methanesulfonamido)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053999
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 46772565) is N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is AHMXFFHPKCIFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3S/c1-30(28,29)24-14-5-6-16(17(20)12-14)18(27)26-9-7-25(8-10-26)15-4-2-3-13(11-15)19(21,22)23/h2-6,11-12,24H,7-10H2,1H3.
What are the key properties of N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 461.89 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 46772565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).