2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine

C18H19ClN2O3S — CID 120765181

IUPAC2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c19-16-4-2-1-3-15(16)17-12-20-8-9-21(17)25(22,23)14-5-6-18-13(11-14)7-10-24-18/h1-6,11,17,20H,7-10,12H2
InChIKeyCTYQSAHJUAWRGT-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine

2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine (PubChem CID 120765181) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
PubChem CID120765181
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c19-16-4-2-1-3-15(16)17-12-20-8-9-21(17)25(22,23)14-5-6-18-13(11-14)7-10-24-18/h1-6,11,17,20H,7-10,12H2
InChIKeyCTYQSAHJUAWRGT-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120765302
(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine
CID 82756085
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
7-(2-chlorophenyl)-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-thiazepane 1,1-dioxide
CID 121193165
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362855
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895075
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 120765315
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-phenylazepane
CID 121146254

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine (CID 120765181) is 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCO2)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
The InChIKey is CTYQSAHJUAWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-16-4-2-1-3-15(16)17-12-20-8-9-21(17)25(22,23)14-5-6-18-13(11-14)7-10-24-18/h1-6,11,17,20H,7-10,12H2.
What are the key properties of 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine?
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine has a molecular weight of 378.88 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine is sourced from PubChem (CID 120765181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).