N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide

C25H28ClN3O3S — CID 45275234

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCN1CCN([C@@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C25H28ClN3O3S/c1-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)26)19-27-33(30,31)22-13-11-21(12-14-22)32-20-7-3-2-4-8-20/h2-14,25,27H,15-19H2,1H3/t25-/m0/s1
InChIKeyMIQPFYBQNWUFCN-VWLOTQADSA-N
MW486.04 g/mol
LogP4.40
Rot. Bonds8

About N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide

N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide (PubChem CID 45275234) has the molecular formula C25H28ClN3O3S and a molecular weight of 486.04 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
PubChem CID45275234
Molecular FormulaC25H28ClN3O3S
Molecular Weight486.04 g/mol
Exact Mass485.15
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCN1CCN([C@@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C25H28ClN3O3S/c1-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)26)19-27-33(30,31)22-13-11-21(12-14-22)32-20-7-3-2-4-8-20/h2-14,25,27H,15-19H2,1H3/t25-/m0/s1
InChIKeyMIQPFYBQNWUFCN-VWLOTQADSA-N
XLogP4.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275010
N-[2-(4-cyanophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275453
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 70895283
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
ethyl 4-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]benzoate
CID 43064502
N-[2-(5-methyl-2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 70895253
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide (CID 45275234) is N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide is CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2Cl)CC1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The InChIKey is MIQPFYBQNWUFCN-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28ClN3O3S/c1-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)26)19-27-33(30,31)22-13-11-21(12-14-22)32-20-7-3-2-4-8-20/h2-14,25,27H,15-19H2,1H3/t25-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide has a molecular weight of 486.04 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 45275234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).