2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

C21H24N2O6S — CID 39634509

IUPAC2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C21H24N2O6S/c1-27-17-4-6-19(28-2)20(14-17)30(25,26)23-10-8-22(9-11-23)21(24)16-3-5-18-15(13-16)7-12-29-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJOROCUFFRPRCBW-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.79
Rot. Bonds5

About 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 39634509) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID39634509
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C21H24N2O6S/c1-27-17-4-6-19(28-2)20(14-17)30(25,26)23-10-8-22(9-11-23)21(24)16-3-5-18-15(13-16)7-12-29-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJOROCUFFRPRCBW-UHFFFAOYSA-N
XLogP1.79
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773
[4-(benzenesulfonyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 110805144
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814974
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
6-chloro-7-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 30838373
1,3-benzodioxol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7601287
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646198
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 39634509) is 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is JOROCUFFRPRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-27-17-4-6-19(28-2)20(14-17)30(25,26)23-10-8-22(9-11-23)21(24)16-3-5-18-15(13-16)7-12-29-18/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 432.50 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 39634509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).