[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone

C19H21ClN2O5S — CID 3243820

IUPAC[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-26-16-6-3-14(4-7-16)19(23)21-9-11-22(12-10-21)28(24,25)18-13-15(20)5-8-17(18)27-2/h3-8,13H,9-12H2,1-2H3
InChIKeyXHMYWUIKNLBKSP-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.50
Rot. Bonds5

About [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 3243820) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID3243820
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-26-16-6-3-14(4-7-16)19(23)21-9-11-22(12-10-21)28(24,25)18-13-15(20)5-8-17(18)27-2/h3-8,13H,9-12H2,1-2H3
InChIKeyXHMYWUIKNLBKSP-UHFFFAOYSA-N
XLogP2.50
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone (CID 3243820) is [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1.
What is the InChIKey of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XHMYWUIKNLBKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-16-6-3-14(4-7-16)19(23)21-9-11-22(12-10-21)28(24,25)18-13-15(20)5-8-17(18)27-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 424.91 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3243820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).