1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine

C18H21N3O3S — CID 120764328

IUPAC1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
SMILESCC1Cc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc2O1
InChIInChI=1S/C18H21N3O3S/c1-13-9-15-10-16(4-5-18(15)24-13)25(22,23)21-8-7-20-12-17(21)14-3-2-6-19-11-14/h2-6,10-11,13,17,20H,7-9,12H2,1H3
InChIKeyGSZFYVPGUXHENF-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.74
Rot. Bonds3

About 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine

1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine (PubChem CID 120764328) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
PubChem CID120764328
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
SMILESCC1Cc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc2O1
InChIInChI=1S/C18H21N3O3S/c1-13-9-15-10-16(4-5-18(15)24-13)25(22,23)21-8-7-20-12-17(21)14-3-2-6-19-11-14/h2-6,10-11,13,17,20H,7-9,12H2,1H3
InChIKeyGSZFYVPGUXHENF-UHFFFAOYSA-N
XLogP1.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole
CID 120763906
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride
CID 120763905
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
CID 120763731

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine (CID 120764328) is 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine is CC1Cc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc2O1.
What is the InChIKey of 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine?
The InChIKey is GSZFYVPGUXHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-9-15-10-16(4-5-18(15)24-13)25(22,23)21-8-7-20-12-17(21)14-3-2-6-19-11-14/h2-6,10-11,13,17,20H,7-9,12H2,1H3.
What are the key properties of 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine?
1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine has a molecular weight of 359.45 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120764328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).