1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine

C19H21F2N3O3S — CID 133424262

IUPAC1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ccc(OC(F)F)cn2)CC1
InChIInChI=1S/C19H21F2N3O3S/c20-19(21)27-16-5-7-18(22-13-16)23-8-10-24(11-9-23)28(25,26)17-6-4-14-2-1-3-15(14)12-17/h4-7,12-13,19H,1-3,8-11H2
InChIKeyDQTMRJJFZILWMH-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.68
Rot. Bonds5

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

1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (PubChem CID 133424262) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
PubChem CID133424262
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ccc(OC(F)F)cn2)CC1
InChIInChI=1S/C19H21F2N3O3S/c20-19(21)27-16-5-7-18(22-13-16)23-8-10-24(11-9-23)28(25,26)17-6-4-14-2-1-3-15(14)12-17/h4-7,12-13,19H,1-3,8-11H2
InChIKeyDQTMRJJFZILWMH-UHFFFAOYSA-N
XLogP2.68
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(difluoromethoxy)-2-pyridinyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 133424223
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 30640158
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 133358239
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36723855
2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
CID 122344254
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
[5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-inden-2-yl]methanediol
CID 135160185
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721496

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The IUPAC name of 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine (CID 133424262) is 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ccc(OC(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
The InChIKey is DQTMRJJFZILWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c20-19(21)27-16-5-7-18(22-13-16)23-8-10-24(11-9-23)28(25,26)17-6-4-14-2-1-3-15(14)12-17/h4-7,12-13,19H,1-3,8-11H2.
What are the key properties of 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine?
1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine has a molecular weight of 409.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-2-pyridinyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine is sourced from PubChem (CID 133424262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).