1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine

C12H14ClN5O2S — CID 138018003

IUPAC1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C12H14ClN5O2S/c13-10-3-1-2-4-11(10)21(19,20)18-7-5-17(6-8-18)12-14-9-15-16-12/h1-4,9H,5-8H2,(H,14,15,16)
InChIKeyXFGROIRSJSGAFA-UHFFFAOYSA-N
MW327.80 g/mol
LogP0.97
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine

1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine (PubChem CID 138018003) has the molecular formula C12H14ClN5O2S and a molecular weight of 327.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine
PubChem CID138018003
Molecular FormulaC12H14ClN5O2S
Molecular Weight327.80 g/mol
Exact Mass327.06
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C12H14ClN5O2S/c13-10-3-1-2-4-11(10)21(19,20)18-7-5-17(6-8-18)12-14-9-15-16-12/h1-4,9H,5-8H2,(H,14,15,16)
InChIKeyXFGROIRSJSGAFA-UHFFFAOYSA-N
XLogP0.97
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 2746542
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one
CID 58724188
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 9108134
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 26570212
1-[2-methoxy-5-(1H-pyrazol-4-yl)phenyl]sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 171908447
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407629
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349017

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine (CID 138018003) is 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine is O=S(=O)(c1ccccc1Cl)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
The InChIKey is XFGROIRSJSGAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2S/c13-10-3-1-2-4-11(10)21(19,20)18-7-5-17(6-8-18)12-14-9-15-16-12/h1-4,9H,5-8H2,(H,14,15,16).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine has a molecular weight of 327.80 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine is sourced from PubChem (CID 138018003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).