1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine

C16H18ClN3O3S — CID 136512660

IUPAC1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccncc3Cl)CC2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-23-13-2-4-14(5-3-13)24(21,22)20-10-8-19(9-11-20)16-6-7-18-12-15(16)17/h2-7,12H,8-11H2,1H3
InChIKeyCGUVWPMUUHEFJD-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.25
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine

1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 136512660) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID136512660
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccncc3Cl)CC2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-23-13-2-4-14(5-3-13)24(21,22)20-10-8-19(9-11-20)16-6-7-18-12-15(16)17/h2-7,12H,8-11H2,1H3
InChIKeyCGUVWPMUUHEFJD-UHFFFAOYSA-N
XLogP2.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 133352307
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 133358239
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882
1-(4-chloro-2-nitrophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 9111502
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 137338887
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 133358884
1-[3-fluoro-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 26541806
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 42111916

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine (CID 136512660) is 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccncc3Cl)CC2)cc1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is CGUVWPMUUHEFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-23-13-2-4-14(5-3-13)24(21,22)20-10-8-19(9-11-20)16-6-7-18-12-15(16)17/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 367.86 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 136512660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).