[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

C18H23N3O4S — CID 2496383

IUPAC[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-15-6-8-16(9-7-15)26(23,24)21-13-11-20(12-14-21)18(22)17-5-4-10-19(17)2/h4-10H,3,11-14H2,1-2H3
InChIKeyAUIYFFUWJVXYGE-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.57
Rot. Bonds5

About [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 2496383) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID2496383
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-15-6-8-16(9-7-15)26(23,24)21-13-11-20(12-14-21)18(22)17-5-4-10-19(17)2/h4-10H,3,11-14H2,1-2H3
InChIKeyAUIYFFUWJVXYGE-UHFFFAOYSA-N
XLogP1.57
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(2,6-dimethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567799
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4820388
(3,4-dichlorophenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869029
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 26766046
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646296
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 16550716

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 2496383) is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is AUIYFFUWJVXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-25-15-6-8-16(9-7-15)26(23,24)21-13-11-20(12-14-21)18(22)17-5-4-10-19(17)2/h4-10H,3,11-14H2,1-2H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 377.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 2496383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).