1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C20H18F3N3O2S — CID 24901355

IUPAC1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)18-6-3-9-24-19(18)25-10-12-26(13-11-25)29(27,28)17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2
InChIKeySYQSWNRTYTVMSS-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.76
Rot. Bonds3

About 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 24901355) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID24901355
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC Name1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)18-6-3-9-24-19(18)25-10-12-26(13-11-25)29(27,28)17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2
InChIKeySYQSWNRTYTVMSS-UHFFFAOYSA-N
XLogP3.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
1-Guanidino-7-sulphamoylisoquinoline
CID 16658352
1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
Arylsulfonylpiperazine, 10
CID 23648664
Arylsulfonylpiperazine, 38
CID 23648694
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 6
CID 44237014
Arylsulfonylpiperazine, 16
CID 44237021
11beta-HSD1 inibitor 17
CID 44237022
Arylsulfonylpiperazine, 39
CID 44237031

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 24901355) is 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is SYQSWNRTYTVMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c21-20(22,23)18-6-3-9-24-19(18)25-10-12-26(13-11-25)29(27,28)17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 421.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 24901355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).