[4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H16N2O3S2 — CID 717233

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16N2O3S2/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyWYFPKKIGLNJQGY-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.89
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 717233) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID717233
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16N2O3S2/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-7,12H,8-11H2
InChIKeyWYFPKKIGLNJQGY-UHFFFAOYSA-N
XLogP1.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
[4-(2,4-Dimethylbenzenesulfonyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 1262775
[4-(Phenylsulfonyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2225531
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 717233) is [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WYFPKKIGLNJQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-15(14-7-4-12-21-14)16-8-10-17(11-9-16)22(19,20)13-5-2-1-3-6-13/h1-7,12H,8-11H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 336.44 g/mol, XLogP of 1.89, 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]-thiophen-2-ylmethanone is sourced from PubChem (CID 717233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).