1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine

C19H21ClN2O2S — CID 110399891

IUPAC1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C19H21ClN2O2S/c20-17-7-3-4-8-19(17)25(23,24)22-13-11-21(12-14-22)18-10-9-15-5-1-2-6-16(15)18/h1-8,18H,9-14H2
InChIKeyRFHSCQSGDFXBCX-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.33
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine

1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine (PubChem CID 110399891) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine
PubChem CID110399891
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C19H21ClN2O2S/c20-17-7-3-4-8-19(17)25(23,24)22-13-11-21(12-14-22)18-10-9-15-5-1-2-6-16(15)18/h1-8,18H,9-14H2
InChIKeyRFHSCQSGDFXBCX-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
(11bS)-2-(2-chlorophenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51709796
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46809760
1-(2,3-dihydro-1H-inden-1-yl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 110399892
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
CID 110399826
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
CID 81241270
4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55864858

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine (CID 110399891) is 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine is O=S(=O)(c1ccccc1Cl)N1CCN(C2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine?
The InChIKey is RFHSCQSGDFXBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-17-7-3-4-8-19(17)25(23,24)22-13-11-21(12-14-22)18-10-9-15-5-1-2-6-16(15)18/h1-8,18H,9-14H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine?
1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine has a molecular weight of 376.91 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine is sourced from PubChem (CID 110399891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).