1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine

C18H20ClN3O2S — CID 133358239

IUPAC1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C18H20ClN3O2S/c19-17-13-20-7-6-18(17)21-8-10-22(11-9-21)25(23,24)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2
InChIKeyCVWQPGUEXNWAKK-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine

1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (PubChem CID 133358239) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
PubChem CID133358239
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C18H20ClN3O2S/c19-17-13-20-7-6-18(17)21-8-10-22(11-9-21)25(23,24)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2
InChIKeyCVWQPGUEXNWAKK-UHFFFAOYSA-N
XLogP2.73
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 133352307
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 29352357
1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 136512660
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
CID 122256548
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
8-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 146143790
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
1-(2-chlorophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 26945246
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36723855
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 30640158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (CID 133358239) is 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The InChIKey is CVWQPGUEXNWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c19-17-13-20-7-6-18(17)21-8-10-22(11-9-21)25(23,24)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine has a molecular weight of 377.90 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine is sourced from PubChem (CID 133358239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).