1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine

C16H19N3O3S — CID 102538666

IUPAC1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine
SMILESO=S(=O)(c1cnccc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C16H19N3O3S/c20-23(21,19-10-8-17-9-11-19)16-12-18-7-6-15(16)22-13-14-4-2-1-3-5-14/h1-7,12,17H,8-11,13H2
InChIKeyKQFWKSMGXCEGGP-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.25
Rot. Bonds5

About 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine

1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine (PubChem CID 102538666) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine
PubChem CID102538666
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine
SMILESO=S(=O)(c1cnccc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C16H19N3O3S/c20-23(21,19-10-8-17-9-11-19)16-12-18-7-6-15(16)22-13-14-4-2-1-3-5-14/h1-7,12,17H,8-11,13H2
InChIKeyKQFWKSMGXCEGGP-UHFFFAOYSA-N
XLogP1.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenylmethoxyphenyl)sulfonylpiperazine
CID 70053315
8-piperazin-1-ylsulfonylisoquinoline
CID 86157701
1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
CID 102538674
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967
8-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 3653475
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
CID 126766963
benzyl 4-isoquinolin-5-ylsulfonyl-1,4-diazepane-1-carboxylate
CID 66554217
1-(2-propan-2-yloxyphenyl)sulfonylpiperazine
CID 141221237
(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 122069680
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine?
The IUPAC name of 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine (CID 102538666) is 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine.
What is the SMILES notation for 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine?
The canonical SMILES for 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine is O=S(=O)(c1cnccc1OCc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine?
The InChIKey is KQFWKSMGXCEGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21,19-10-8-17-9-11-19)16-12-18-7-6-15(16)22-13-14-4-2-1-3-5-14/h1-7,12,17H,8-11,13H2.
What are the key properties of 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine?
1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine has a molecular weight of 333.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylmethoxy-3-pyridinyl)sulfonyl]piperazine is sourced from PubChem (CID 102538666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).