N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide

C25H26Cl2FN3O3S — CID 164862320

IUPACN-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
SMILESCN1CCN(CC(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H26Cl2FN3O3S/c1-30-12-14-31(15-13-30)17-25(18-2-11-23(26)24(27)16-18)29-35(32,33)22-9-7-21(8-10-22)34-20-5-3-19(28)4-6-20/h2-11,16,25,29H,12-15,17H2,1H3
InChIKeyRYSARPCBKXRIKO-UHFFFAOYSA-N
MW538.47 g/mol
LogP5.19
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide

N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide (PubChem CID 164862320) has the molecular formula C25H26Cl2FN3O3S and a molecular weight of 538.47 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
PubChem CID164862320
Molecular FormulaC25H26Cl2FN3O3S
Molecular Weight538.47 g/mol
Exact Mass537.11
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
SMILESCN1CCN(CC(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H26Cl2FN3O3S/c1-30-12-14-31(15-13-30)17-25(18-2-11-23(26)24(27)16-18)29-35(32,33)22-9-7-21(8-10-22)34-20-5-3-19(28)4-6-20/h2-11,16,25,29H,12-15,17H2,1H3
InChIKeyRYSARPCBKXRIKO-UHFFFAOYSA-N
XLogP5.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 164862084
N-[1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862395
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 164861902
N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862553
N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909
N-[4-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]phenoxy]benzenesulfonamide
CID 164861852
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862402
N-[(1S)-1-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862427
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide
CID 164862062
N-[2-(3,4-dihydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 70895265
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
N-[(1R)-2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-(3,4-dichlorophenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 172854330

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide (CID 164862320) is N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide is CN1CCN(CC(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide?
The InChIKey is RYSARPCBKXRIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2FN3O3S/c1-30-12-14-31(15-13-30)17-25(18-2-11-23(26)24(27)16-18)29-35(32,33)22-9-7-21(8-10-22)34-20-5-3-19(28)4-6-20/h2-11,16,25,29H,12-15,17H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide?
N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide has a molecular weight of 538.47 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 164862320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).