N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide

C23H28F3N3O3S — CID 33232971

IUPACN,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1C
InChIInChI=1S/C23H28F3N3O3S/c1-4-29(5-2)33(31,32)21-15-18(10-9-17(21)3)22(30)28-13-11-27(12-14-28)20-8-6-7-19(16-20)23(24,25)26/h6-10,15-16H,4-5,11-14H2,1-3H3
InChIKeyFCHSVUSVBVQFND-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.01
Rot. Bonds6

About N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide

N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 33232971) has the molecular formula C23H28F3N3O3S and a molecular weight of 483.56 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID33232971
Molecular FormulaC23H28F3N3O3S
Molecular Weight483.56 g/mol
Exact Mass483.18
IUPAC NameN,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1C
InChIInChI=1S/C23H28F3N3O3S/c1-4-29(5-2)33(31,32)21-15-18(10-9-17(21)3)22(30)28-13-11-27(12-14-28)20-8-6-7-19(16-20)23(24,25)26/h6-10,15-16H,4-5,11-14H2,1-3H3
InChIKeyFCHSVUSVBVQFND-UHFFFAOYSA-N
XLogP4.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
[4-[dimethylsulfamoyl(methyl)amino]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 92664254
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 55480785
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 119520286
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 2956194
N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide;hydroiodide
CID 111234166

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide (CID 33232971) is N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1C.
What is the InChIKey of N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is FCHSVUSVBVQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3S/c1-4-29(5-2)33(31,32)21-15-18(10-9-17(21)3)22(30)28-13-11-27(12-14-28)20-8-6-7-19(16-20)23(24,25)26/h6-10,15-16H,4-5,11-14H2,1-3H3.
What are the key properties of N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 483.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 33232971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).