N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide

C26H28ClN3O4S — CID 25161819

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H28ClN3O4S/c1-28(18-19-34-24-12-10-22(27)11-13-24)26(31)21-6-5-9-25(20-21)35(32,33)30-16-14-29(15-17-30)23-7-3-2-4-8-23/h2-13,20H,14-19H2,1H3
InChIKeyFJNXEFKNPUHZIW-UHFFFAOYSA-N
MW514.05 g/mol
LogP4.00
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 25161819) has the molecular formula C26H28ClN3O4S and a molecular weight of 514.05 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
PubChem CID25161819
Molecular FormulaC26H28ClN3O4S
Molecular Weight514.05 g/mol
Exact Mass513.15
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H28ClN3O4S/c1-28(18-19-34-24-12-10-22(27)11-13-24)26(31)21-6-5-9-25(20-21)35(32,33)30-16-14-29(15-17-30)23-7-3-2-4-8-23/h2-13,20H,14-19H2,1H3
InChIKeyFJNXEFKNPUHZIW-UHFFFAOYSA-N
XLogP4.00
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.05
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
2-(2-chlorophenyl)-N-[4-[3-(morpholine-4-carbonyl)phenoxy]-3-sulfamoylphenyl]acetamide
CID 124125301
[4-(4-Methoxy-phenyl)-piperazin-1-yl]-[4-(morpholine-4-sulfonyl)-phenyl]-methanone
CID 647493
3-methoxy-N-(4-(4-phenylpiperazine-1-carbonyl)benzyl)benzenesulfonamide
CID 984423
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
4-Methoxy-3-(morpholin-4-ylsulfonyl)phenyl 4-phenylpiperazinyl ketone
CID 1087791
4-methoxy-N-methyl-N-[4-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1095430
N-Benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1109506
1-(2-Methoxyphenyl)-4-[4-(1-piperidinylsulfonyl)benzoyl]piperazine
CID 1297523
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2089490
N-(5-chloro-2-phenoxyphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 2210288

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide (CID 25161819) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is FJNXEFKNPUHZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4S/c1-28(18-19-34-24-12-10-22(27)11-13-24)26(31)21-6-5-9-25(20-21)35(32,33)30-16-14-29(15-17-30)23-7-3-2-4-8-23/h2-13,20H,14-19H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 514.05 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 25161819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).