2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C21H24FN3O3S — CID 17492761

IUPAC2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-7-19(8-6-18)23-21(26)15-24-10-12-25(13-11-24)29(27,28)20-9-4-16-2-1-3-17(16)14-20/h4-9,14H,1-3,10-13,15H2,(H,23,26)
InChIKeyNLSOHGKDGVMDRN-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.26
Rot. Bonds5

About 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 17492761) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID17492761
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-7-19(8-6-18)23-21(26)15-24-10-12-25(13-11-24)29(27,28)20-9-4-16-2-1-3-17(16)14-20/h4-9,14H,1-3,10-13,15H2,(H,23,26)
InChIKeyNLSOHGKDGVMDRN-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655508
N-(2-fluorophenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 4828635
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824648
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
2-[7-(azepan-1-ylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53122528
N-(4-fluorophenyl)-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 18192065
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053
N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 55411447
N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 9289266
N-(2-bromophenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 17425960
N-tert-butyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 8843443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 17492761) is 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is NLSOHGKDGVMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-18-5-7-19(8-6-18)23-21(26)15-24-10-12-25(13-11-24)29(27,28)20-9-4-16-2-1-3-17(16)14-20/h4-9,14H,1-3,10-13,15H2,(H,23,26).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17492761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).