2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide

C22H27Cl2N3O4S — CID 24978702

IUPAC2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCOc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C22H27Cl2N3O4S/c1-3-26-10-12-27(13-11-26)32(29,30)19-8-9-21(24)20(16-19)22(28)25(2)14-15-31-18-6-4-17(23)5-7-18/h4-9,16H,3,10-15H2,1-2H3
InChIKeyUINMGICZUPYDIS-UHFFFAOYSA-N
MW500.45 g/mol
LogP3.47
Rot. Bonds8

About 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide

2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide (PubChem CID 24978702) has the molecular formula C22H27Cl2N3O4S and a molecular weight of 500.45 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
PubChem CID24978702
Molecular FormulaC22H27Cl2N3O4S
Molecular Weight500.45 g/mol
Exact Mass499.11
IUPAC Name2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCOc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C22H27Cl2N3O4S/c1-3-26-10-12-27(13-11-26)32(29,30)19-8-9-21(24)20(16-19)22(28)25(2)14-15-31-18-6-4-17(23)5-7-18/h4-9,16H,3,10-15H2,1-2H3
InChIKeyUINMGICZUPYDIS-UHFFFAOYSA-N
XLogP3.47
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide 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

2,4-dichloro-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
CID 1825978
1-[(5-Chloro-2-methoxyphenyl)sulfonyl]-4-(4-methoxybenzoyl)piperazine
CID 3243820
2-chloro-N-(2-furylmethyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1107138
1-(3-Chlorobenzoyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147959
N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 2472340
N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 8960790
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 16290145
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 16311346
8-(2-Chloro-6-fluorobenzoyl)-4-(4-methoxybenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 22584199
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24979464
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 24979509
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 24981818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide (CID 24978702) is 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide is CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCOc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The InChIKey is UINMGICZUPYDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O4S/c1-3-26-10-12-27(13-11-26)32(29,30)19-8-9-21(24)20(16-19)22(28)25(2)14-15-31-18-6-4-17(23)5-7-18/h4-9,16H,3,10-15H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide has a molecular weight of 500.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 24978702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).