[4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone

C15H15BrN2O3S2 — CID 1247176

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H15BrN2O3S2/c16-14-7-6-13(22-14)15(19)17-8-10-18(11-9-17)23(20,21)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyLEKXKGCIKWYTRP-UHFFFAOYSA-N
MW415.33 g/mol
LogP2.66
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone (PubChem CID 1247176) has the molecular formula C15H15BrN2O3S2 and a molecular weight of 415.33 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone
PubChem CID1247176
Molecular FormulaC15H15BrN2O3S2
Molecular Weight415.33 g/mol
Exact Mass413.97
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H15BrN2O3S2/c16-14-7-6-13(22-14)15(19)17-8-10-18(11-9-17)23(20,21)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyLEKXKGCIKWYTRP-UHFFFAOYSA-N
XLogP2.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-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

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
[4-(Benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 717233
1-[(5-Bromo-2-thienyl)carbonyl]-4-(3-phenyl-2-propen-1-yl)piperazine
CID 1246367
1-[(4-Bromo-5-ethyl-2-thienyl)carbonyl]-4-(methylsulfonyl)piperazine
CID 1247224
4-[4-(5-Bromothiophen-2-yl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 2482422
[4-(5-Bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 4794982
4-[4-(3-Bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164624001
(5-Methylthiophen-2-yl)[4-(phenylsulfonyl)piperazin-1-yl]methanone
CID 4506512
[4-(Benzenesulfonyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 1246600
(5-Bromothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1245667

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone (CID 1247176) is [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone is O=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone?
The InChIKey is LEKXKGCIKWYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S2/c16-14-7-6-13(22-14)15(19)17-8-10-18(11-9-17)23(20,21)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(5-bromothiophen-2-yl)methanone has a molecular weight of 415.33 g/mol, XLogP of 2.66, 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]-(5-bromothiophen-2-yl)methanone is sourced from PubChem (CID 1247176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).