1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine

C16H18ClN3O2S — CID 68555914

IUPAC1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H18ClN3O2S/c1-13-5-4-8-18-16(13)19-9-11-20(12-10-19)23(21,22)15-7-3-2-6-14(15)17/h2-8H,9-12H2,1H3
InChIKeyRGGKTSDCHRGXHB-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.55
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine

1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine (PubChem CID 68555914) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
PubChem CID68555914
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H18ClN3O2S/c1-13-5-4-8-18-16(13)19-9-11-20(12-10-19)23(21,22)15-7-3-2-6-14(15)17/h2-8H,9-12H2,1H3
InChIKeyRGGKTSDCHRGXHB-UHFFFAOYSA-N
XLogP2.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407629
1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970
1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 6735011
1-(3-methyl-2-pyridinyl)-4-methylsulfonyl-1,4-diazepane
CID 51346045
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 138018003
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine (CID 68555914) is 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine is Cc1cccnc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
The InChIKey is RGGKTSDCHRGXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-13-5-4-8-18-16(13)19-9-11-20(12-10-19)23(21,22)15-7-3-2-6-14(15)17/h2-8H,9-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine?
1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine has a molecular weight of 351.86 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 68555914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).