2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide

C22H24F3N3O5S — CID 55587046

IUPAC2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H24F3N3O5S/c1-26(2)34(31,32)19-14-16(6-9-18(19)33-3)21(30)28-12-10-27(11-13-28)20(29)15-4-7-17(8-5-15)22(23,24)25/h4-9,14H,10-13H2,1-3H3
InChIKeyNFMHYQVBWMLVMC-UHFFFAOYSA-N
MW499.51 g/mol
LogP2.56
Rot. Bonds5

About 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide

2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55587046) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55587046
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC Name2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H24F3N3O5S/c1-26(2)34(31,32)19-14-16(6-9-18(19)33-3)21(30)28-12-10-27(11-13-28)20(29)15-4-7-17(8-5-15)22(23,24)25/h4-9,14H,10-13H2,1-3H3
InChIKeyNFMHYQVBWMLVMC-UHFFFAOYSA-N
XLogP2.56
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
2-[4-[3-(dimethylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566418
2-methoxy-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55917751
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 139000603
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 17463626
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108544120
2-(3,4-dimethoxyphenyl)-1-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 108548107
2-chloro-N,N-dimethyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 25490824
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide (CID 55587046) is 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NFMHYQVBWMLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5S/c1-26(2)34(31,32)19-14-16(6-9-18(19)33-3)21(30)28-12-10-27(11-13-28)20(29)15-4-7-17(8-5-15)22(23,24)25/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 499.51 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55587046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).