(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C24H25ClN2O5S — CID 26865865

IUPAC(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-3-32-23-21(25)15-19(16-22(23)31-2)24(28)26-10-12-27(13-11-26)33(29,30)20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyVIDXTLHOZBZYKE-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.05
Rot. Bonds6

About (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 26865865) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID26865865
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-3-32-23-21(25)15-19(16-22(23)31-2)24(28)26-10-12-27(13-11-26)33(29,30)20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyVIDXTLHOZBZYKE-UHFFFAOYSA-N
XLogP4.05
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17476571
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
(3-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 52693720
(4-butoxy-3-chloro-5-methoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4824145
(2-chloro-4-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 32694457
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
(3-chloro-4,5-dimethoxyphenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38565027
(3,4-dichlorophenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869029
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 31368126
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 26865865) is (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is CCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC.
What is the InChIKey of (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is VIDXTLHOZBZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-3-32-23-21(25)15-19(16-22(23)31-2)24(28)26-10-12-27(13-11-26)33(29,30)20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14-16H,3,10-13H2,1-2H3.
What are the key properties of (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 488.99 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 26865865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).