[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C16H24ClN3O4S — CID 119678710

IUPAC[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C16H23N3O4S.ClH/c1-23-14-2-4-15(5-3-14)24(21,22)19-10-8-18(9-11-19)16(20)13-6-7-17-12-13;/h2-5,13,17H,6-12H2,1H3;1H
InChIKeyZNYXVCONVFBLST-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.56
Rot. Bonds4

About [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119678710) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119678710
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C16H23N3O4S.ClH/c1-23-14-2-4-15(5-3-14)24(21,22)19-10-8-18(9-11-19)16(20)13-6-7-17-12-13;/h2-5,13,17H,6-12H2,1H3;1H
InChIKeyZNYXVCONVFBLST-UHFFFAOYSA-N
XLogP0.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576431
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480
2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119179393
cyclopropyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55630204
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-3-ylmethanone
CID 119302951
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone
CID 119678670

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 119678710) is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)cc1.Cl.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is ZNYXVCONVFBLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S.ClH/c1-23-14-2-4-15(5-3-14)24(21,22)19-10-8-18(9-11-19)16(20)13-6-7-17-12-13;/h2-5,13,17H,6-12H2,1H3;1H.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119678710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).