4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C16H16BrN3O4S2 — CID 164624001

IUPAC4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3sccc3Br)CC2)cc1
InChIInChI=1S/C16H16BrN3O4S2/c17-13-5-10-25-14(13)16(22)20-8-6-19(7-9-20)15(21)11-1-3-12(4-2-11)26(18,23)24/h1-5,10H,6-9H2,(H2,18,23,24)
InChIKeyNDHFXCJKXJLOMW-UHFFFAOYSA-N
MW458.36 g/mol
LogP1.76
Rot. Bonds3

About 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164624001) has the molecular formula C16H16BrN3O4S2 and a molecular weight of 458.36 g/mol. Its IUPAC name is 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164624001
Molecular FormulaC16H16BrN3O4S2
Molecular Weight458.36 g/mol
Exact Mass456.98
IUPAC Name4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3sccc3Br)CC2)cc1
InChIInChI=1S/C16H16BrN3O4S2/c17-13-5-10-25-14(13)16(22)20-8-6-19(7-9-20)15(21)11-1-3-12(4-2-11)26(18,23)24/h1-5,10H,6-9H2,(H2,18,23,24)
InChIKeyNDHFXCJKXJLOMW-UHFFFAOYSA-N
XLogP1.76
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide 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

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
4-[4-(3-Bromobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 156017797
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
[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
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 1245237
1-[(5-Bromo-2-thienyl)carbonyl]-4-(3-phenyl-2-propen-1-yl)piperazine
CID 1246367
1-[(5-Methyl-4-phenyl-3-thienyl)carbonyl]-4-(methylsulfonyl)piperazine
CID 1246755
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164624001) is 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3sccc3Br)CC2)cc1.
What is the InChIKey of 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NDHFXCJKXJLOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4S2/c17-13-5-10-25-14(13)16(22)20-8-6-19(7-9-20)15(21)11-1-3-12(4-2-11)26(18,23)24/h1-5,10H,6-9H2,(H2,18,23,24).
What are the key properties of 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 458.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164624001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).