1-phenyl-4-pyridin-3-ylsulfonylpiperazine

C15H17N3O2S — CID 23762699

IUPAC1-phenyl-4-pyridin-3-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17N3O2S/c19-21(20,15-7-4-8-16-13-15)18-11-9-17(10-12-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyLIWZQWDITDIUIC-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.59
Rot. Bonds3

About 1-phenyl-4-pyridin-3-ylsulfonylpiperazine

1-phenyl-4-pyridin-3-ylsulfonylpiperazine (PubChem CID 23762699) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-phenyl-4-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-phenyl-4-pyridin-3-ylsulfonylpiperazine
PubChem CID23762699
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-phenyl-4-pyridin-3-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17N3O2S/c19-21(20,15-7-4-8-16-13-15)18-11-9-17(10-12-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyLIWZQWDITDIUIC-UHFFFAOYSA-N
XLogP1.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602664
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile
CID 133310521
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of 1-phenyl-4-pyridin-3-ylsulfonylpiperazine (CID 23762699) is 1-phenyl-4-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-phenyl-4-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-phenyl-4-pyridin-3-ylsulfonylpiperazine is O=S(=O)(c1cccnc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-pyridin-3-ylsulfonylpiperazine?
The InChIKey is LIWZQWDITDIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-21(20,15-7-4-8-16-13-15)18-11-9-17(10-12-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2.
What are the key properties of 1-phenyl-4-pyridin-3-ylsulfonylpiperazine?
1-phenyl-4-pyridin-3-ylsulfonylpiperazine has a molecular weight of 303.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 23762699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).