[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone

C20H22Cl2N2O5S — CID 27563167

IUPAC[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C20H22Cl2N2O5S/c1-3-29-16-8-7-14(13-17(16)28-2)20(25)23-9-11-24(12-10-23)30(26,27)18-6-4-5-15(21)19(18)22/h4-8,13H,3,9-12H2,1-2H3
InChIKeyRHSAGQDHNVWHNS-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.55
Rot. Bonds6

About [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone (PubChem CID 27563167) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
PubChem CID27563167
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C20H22Cl2N2O5S/c1-3-29-16-8-7-14(13-17(16)28-2)20(25)23-9-11-24(12-10-23)30(26,27)18-6-4-5-15(21)19(18)22/h4-8,13H,3,9-12H2,1-2H3
InChIKeyRHSAGQDHNVWHNS-UHFFFAOYSA-N
XLogP3.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27563113
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598
[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 42569055
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 42570707
(E)-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 26872326
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 55445592
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 31824614
(3,4-diethoxyphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674291
(3-chloro-4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804844
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
(3-chlorophenyl)-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567986

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone (CID 27563167) is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1OC.
What is the InChIKey of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
The InChIKey is RHSAGQDHNVWHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-3-29-16-8-7-14(13-17(16)28-2)20(25)23-9-11-24(12-10-23)30(26,27)18-6-4-5-15(21)19(18)22/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone has a molecular weight of 473.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 27563167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).