(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

C16H19N3O3S — CID 39346910

IUPAC(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19-11-9-18(10-12-19)16(20)14-5-4-6-15(13-14)17-7-2-3-8-17/h2-8,13H,9-12H2,1H3
InChIKeyNICZJRGRDMXLGG-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.19
Rot. Bonds3

About (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 39346910) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID39346910
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19-11-9-18(10-12-19)16(20)14-5-4-6-15(13-14)17-7-2-3-8-17/h2-8,13H,9-12H2,1H3
InChIKeyNICZJRGRDMXLGG-UHFFFAOYSA-N
XLogP1.19
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-iodophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252110
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
(4-methylsulfonylpiperazin-1-yl)-[3-(sulfanylamino)phenyl]methanone
CID 122659147
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 166245161
(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 175337539
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-pyrrol-1-ylphenyl)ethanone
CID 131961363
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 39346910) is (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is NICZJRGRDMXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(21,22)19-11-9-18(10-12-19)16(20)14-5-4-6-15(13-14)17-7-2-3-8-17/h2-8,13H,9-12H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 333.41 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 39346910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).