(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone

C20H19N3O3S — CID 1151521

IUPAC(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H19N3O3S/c24-20(18-6-3-9-21-15-18)22-10-12-23(13-11-22)27(25,26)19-8-7-16-4-1-2-5-17(16)14-19/h1-9,14-15H,10-13H2
InChIKeyBSYFWTBFAWJTAM-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.38
Rot. Bonds3

About (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone

(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone (PubChem CID 1151521) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
PubChem CID1151521
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H19N3O3S/c24-20(18-6-3-9-21-15-18)22-10-12-23(13-11-22)27(25,26)19-8-7-16-4-1-2-5-17(16)14-19/h1-9,14-15H,10-13H2
InChIKeyBSYFWTBFAWJTAM-UHFFFAOYSA-N
XLogP2.38
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone (CID 1151521) is (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is BSYFWTBFAWJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-20(18-6-3-9-21-15-18)22-10-12-23(13-11-22)27(25,26)19-8-7-16-4-1-2-5-17(16)14-19/h1-9,14-15H,10-13H2.
What are the key properties of (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 381.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-2-ylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 1151521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).