1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine

C20H24N2O3S — CID 55361889

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-3-2-4-17(13-16)15-21-8-10-22(11-9-21)26(23,24)19-5-6-20-18(14-19)7-12-25-20/h2-6,13-14H,7-12,15H2,1H3
InChIKeyIXOHOKOKHHZKDF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.44
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine (PubChem CID 55361889) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine
PubChem CID55361889
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-3-2-4-17(13-16)15-21-8-10-22(11-9-21)26(23,24)19-5-6-20-18(14-19)7-12-25-20/h2-6,13-14H,7-12,15H2,1H3
InChIKeyIXOHOKOKHHZKDF-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073961
1-(4-bromophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine
CID 26542079
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-(3-methylphenyl)piperidin-4-amine
CID 167859717
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 55502979
1-(4-methyl-3-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 9302099
6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110398823
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine
CID 35315223
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
CID 110819027
[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 51177952
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine (CID 55361889) is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine is Cc1cccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine?
The InChIKey is IXOHOKOKHHZKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-3-2-4-17(13-16)15-21-8-10-22(11-9-21)26(23,24)19-5-6-20-18(14-19)7-12-25-20/h2-6,13-14H,7-12,15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine?
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine has a molecular weight of 372.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 55361889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).