[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C18H23N5O3S — CID 134043588

IUPAC[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H23N5O3S/c24-18(22-7-3-4-8-22)16-13-15(14-20-16)27(25,26)23-11-9-21(10-12-23)17-5-1-2-6-19-17/h1-2,5-6,13-14,20H,3-4,7-12H2
InChIKeyNBYWWOGBSKUTDD-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.16
Rot. Bonds4

About [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134043588) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134043588
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H23N5O3S/c24-18(22-7-3-4-8-22)16-13-15(14-20-16)27(25,26)23-11-9-21(10-12-23)17-5-1-2-6-19-17/h1-2,5-6,13-14,20H,3-4,7-12H2
InChIKeyNBYWWOGBSKUTDD-UHFFFAOYSA-N
XLogP1.16
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
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[4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006724
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
[4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 75447622
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[4-(3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134018876
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
4-(4-fluorophenyl)sulfonyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,4-diazepane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 134043588) is [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c[nH]1)N1CCCC1.
What is the InChIKey of [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NBYWWOGBSKUTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c24-18(22-7-3-4-8-22)16-13-15(14-20-16)27(25,26)23-11-9-21(10-12-23)17-5-1-2-6-19-17/h1-2,5-6,13-14,20H,3-4,7-12H2.
What are the key properties of [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 389.48 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134043588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).