[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone

C26H22ClN3O3S — CID 12051034

IUPAC[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C26H22ClN3O3S/c27-24-9-7-22-17-25(10-8-21(22)16-24)34(32,33)30-14-12-29(13-15-30)26(31)20-5-3-19(4-6-20)23-2-1-11-28-18-23/h1-11,16-18H,12-15H2
InChIKeyYPPOIMXODYHETM-UHFFFAOYSA-N
MW492.00 g/mol
LogP4.70
Rot. Bonds4

About [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone (PubChem CID 12051034) has the molecular formula C26H22ClN3O3S and a molecular weight of 492.00 g/mol. Its IUPAC name is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone
PubChem CID12051034
Molecular FormulaC26H22ClN3O3S
Molecular Weight492.00 g/mol
Exact Mass491.11
IUPAC Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C26H22ClN3O3S/c27-24-9-7-22-17-25(10-8-21(22)16-24)34(32,33)30-14-12-29(13-15-30)26(31)20-5-3-19(4-6-20)23-2-1-11-28-18-23/h1-11,16-18H,12-15H2
InChIKeyYPPOIMXODYHETM-UHFFFAOYSA-N
XLogP4.70
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone (CID 12051034) is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The canonical SMILES for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone is O=C(c1ccc(-c2cccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
The InChIKey is YPPOIMXODYHETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3S/c27-24-9-7-22-17-25(10-8-21(22)16-24)34(32,33)30-14-12-29(13-15-30)26(31)20-5-3-19(4-6-20)23-2-1-11-28-18-23/h1-11,16-18H,12-15H2.
What are the key properties of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone?
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone has a molecular weight of 492.00 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 12051034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).