[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone

C23H28ClN3O4S — CID 55970681

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28ClN3O4S/c1-2-18-3-4-19(17-22(18)32(29,30)27-13-15-31-16-14-27)23(28)26-11-9-25(10-12-26)21-7-5-20(24)6-8-21/h3-8,17H,2,9-16H2,1H3
InChIKeyWHMFSXKPTWOUJM-UHFFFAOYSA-N
MW478.01 g/mol
LogP2.89
Rot. Bonds5

About [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 55970681) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID55970681
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28ClN3O4S/c1-2-18-3-4-19(17-22(18)32(29,30)27-13-15-31-16-14-27)23(28)26-11-9-25(10-12-26)21-7-5-20(24)6-8-21/h3-8,17H,2,9-16H2,1H3
InChIKeyWHMFSXKPTWOUJM-UHFFFAOYSA-N
XLogP2.89
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55578649
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058910
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2207423
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649218

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone (CID 55970681) is [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone is CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is WHMFSXKPTWOUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-2-18-3-4-19(17-22(18)32(29,30)27-13-15-31-16-14-27)23(28)26-11-9-25(10-12-26)21-7-5-20(24)6-8-21/h3-8,17H,2,9-16H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 478.01 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 55970681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).