N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

C20H25F2N3O4S — CID 56653784

IUPACN-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCCN(c1ccccc1OC(F)F)S(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1
InChIInChI=1S/C20H25F2N3O4S/c1-3-25(16-6-4-5-7-19(16)29-20(21)22)30(26,27)15-8-9-18(28-2)17(14-15)24-12-10-23-11-13-24/h4-9,14,20,23H,3,10-13H2,1-2H3
InChIKeyFLACVGUNHVZSQN-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 56653784) has the molecular formula C20H25F2N3O4S and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
PubChem CID56653784
Molecular FormulaC20H25F2N3O4S
Molecular Weight441.50 g/mol
Exact Mass441.15
IUPAC NameN-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCCN(c1ccccc1OC(F)F)S(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1
InChIInChI=1S/C20H25F2N3O4S/c1-3-25(16-6-4-5-7-19(16)29-20(21)22)30(26,27)15-8-9-18(28-2)17(14-15)24-12-10-23-11-13-24/h4-9,14,20,23H,3,10-13H2,1-2H3
InChIKeyFLACVGUNHVZSQN-UHFFFAOYSA-N
XLogP2.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide
CID 58996595
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindazole
CID 118181450
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
butyl 4-[5-[[2-(difluoromethoxy)phenyl]sulfamoyl]-2-methoxyphenyl]piperazine-1-carboxylate
CID 86675738
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide
CID 67135896

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (CID 56653784) is N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is CCN(c1ccccc1OC(F)F)S(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is FLACVGUNHVZSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O4S/c1-3-25(16-6-4-5-7-19(16)29-20(21)22)30(26,27)15-8-9-18(28-2)17(14-15)24-12-10-23-11-13-24/h4-9,14,20,23H,3,10-13H2,1-2H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 441.50 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-N-ethyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 56653784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).