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

C23H24N2O4S — CID 26787013

IUPAC2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H24N2O4S/c26-23(20-14-19-4-1-2-7-22(19)29-16-20)24-10-12-25(13-11-24)30(27,28)21-9-8-17-5-3-6-18(17)15-21/h1-2,4,7-9,14-15H,3,5-6,10-13,16H2
InChIKeyJTUQYMPCVGQJAW-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.48
Rot. Bonds3

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

2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone (PubChem CID 26787013) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
PubChem CID26787013
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H24N2O4S/c26-23(20-14-19-4-1-2-7-22(19)29-16-20)24-10-12-25(13-11-24)30(27,28)21-9-8-17-5-3-6-18(17)15-21/h1-2,4,7-9,14-15H,3,5-6,10-13,16H2
InChIKeyJTUQYMPCVGQJAW-UHFFFAOYSA-N
XLogP2.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-chromen-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 33183639
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
1,3-benzodioxol-4-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 55819480
(4-fluorophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 8698232
2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 75538257
1-benzofuran-2-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641275
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110805388
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55746812
cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone (CID 26787013) is 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone is O=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
The InChIKey is JTUQYMPCVGQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c26-23(20-14-19-4-1-2-7-22(19)29-16-20)24-10-12-25(13-11-24)30(27,28)21-9-8-17-5-3-6-18(17)15-21/h1-2,4,7-9,14-15H,3,5-6,10-13,16H2.
What are the key properties of 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone has a molecular weight of 424.52 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26787013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).