4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine

C18H23N3O5S2 — CID 2235691

IUPAC4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H23N3O5S2/c22-27(23,18-6-5-16-3-1-2-4-17(16)15-18)19-7-9-20(10-8-19)28(24,25)21-11-13-26-14-12-21/h1-6,15H,7-14H2
InChIKeySVPVHLRTPFJUHP-UHFFFAOYSA-N
MW425.53 g/mol
LogP0.72
Rot. Bonds4

About 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine

4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine (PubChem CID 2235691) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine
PubChem CID2235691
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC Name4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H23N3O5S2/c22-27(23,18-6-5-16-3-1-2-4-17(16)15-18)19-7-9-20(10-8-19)28(24,25)21-11-13-26-14-12-21/h1-6,15H,7-14H2
InChIKeySVPVHLRTPFJUHP-UHFFFAOYSA-N
XLogP0.72
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine?
The IUPAC name of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine (CID 2235691) is 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine?
The canonical SMILES for 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine?
The InChIKey is SVPVHLRTPFJUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c22-27(23,18-6-5-16-3-1-2-4-17(16)15-18)19-7-9-20(10-8-19)28(24,25)21-11-13-26-14-12-21/h1-6,15H,7-14H2.
What are the key properties of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine?
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine has a molecular weight of 425.53 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylmorpholine is sourced from PubChem (CID 2235691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).