[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

C16H19N3O3S — CID 24980959

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H19N3O3S/c1-17-9-5-8-15(17)16(20)18-10-12-19(13-11-18)23(21,22)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyMZGYPWBXNKMWKL-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.17
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 24980959) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID24980959
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H19N3O3S/c1-17-9-5-8-15(17)16(20)18-10-12-19(13-11-18)23(21,22)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyMZGYPWBXNKMWKL-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetyl-1-(phenylsulfonyl)pyrrole
CID 706406
4-(2-Formyl-1h-pyrrol-1-yl)benzenesulfonamide
CID 739179
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 3956211
1-methyl-4-(piperazine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 9504111
N-{4-[(methylamino)sulfonyl]phenyl}-2-pyridinecarboxamide
CID 701247
N-Butyl-N-ethyl-4-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}butanamide
CID 16018098
N-(4-(N-phenylsulfamoyl)phenyl)picolinamide
CID 45111049
N-(4-(N-(2-fluorophenyl)sulfamoyl)phenyl)picolinamide
CID 45111509
N-[4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 46853681
N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914100
1-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 25162877

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 24980959) is [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is MZGYPWBXNKMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-17-9-5-8-15(17)16(20)18-10-12-19(13-11-18)23(21,22)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 333.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 24980959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).