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

C23H25FN2O3S — CID 55474132

IUPAC[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H25FN2O3S/c24-22-7-2-1-6-19(22)20-15-21(20)23(27)25-10-12-26(13-11-25)30(28,29)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14,20-21H,3-5,10-13,15H2
InChIKeyXWXDYYXGQLNYFJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.95
Rot. Bonds4

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

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone (PubChem CID 55474132) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
PubChem CID55474132
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H25FN2O3S/c24-22-7-2-1-6-19(22)20-15-21(20)23(27)25-10-12-26(13-11-25)30(28,29)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14,20-21H,3-5,10-13,15H2
InChIKeyXWXDYYXGQLNYFJ-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119270351
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 52543843
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
(4-fluorophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 8698232
N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
2-anilino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 119687790
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1-propylpiperidin-4-yl)methanone
CID 86844277

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone (CID 55474132) is [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone is O=C(C1CC1c1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone?
The InChIKey is XWXDYYXGQLNYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c24-22-7-2-1-6-19(22)20-15-21(20)23(27)25-10-12-26(13-11-25)30(28,29)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14,20-21H,3-5,10-13,15H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone?
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone has a molecular weight of 428.53 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 55474132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).