4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride

C18H19BrClN3O3S — CID 141059713

IUPAC4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cc(N2CCNCC2)c2occc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O3S.ClH/c19-14-1-3-16(4-2-14)26(23,24)21-15-11-13-5-10-25-18(13)17(12-15)22-8-6-20-7-9-22;/h1-5,10-12,20-21H,6-9H2;1H
InChIKeyHIBCEEWYWLAIER-UHFFFAOYSA-N
MW472.79 g/mol
LogP3.83
Rot. Bonds4

About 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride

4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride (PubChem CID 141059713) has the molecular formula C18H19BrClN3O3S and a molecular weight of 472.79 g/mol. Its IUPAC name is 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
PubChem CID141059713
Molecular FormulaC18H19BrClN3O3S
Molecular Weight472.79 g/mol
Exact Mass471.00
IUPAC Name4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cc(N2CCNCC2)c2occc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O3S.ClH/c19-14-1-3-16(4-2-14)26(23,24)21-15-11-13-5-10-25-18(13)17(12-15)22-8-6-20-7-9-22;/h1-5,10-12,20-21H,6-9H2;1H
InChIKeyHIBCEEWYWLAIER-UHFFFAOYSA-N
XLogP3.83
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.79
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride 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

5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
CID 141059689
(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 140512107
1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 66893590
5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
CID 46379559
3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride
CID 66894439
(2-chlorophenyl) 7-piperazin-1-yl-1-benzofuran-5-sulfonate
CID 87894198
N-(4-nitro-3-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 22272495
N-[7-(6,6-dihydroxy-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazin-4-yl)-1-benzofuran-5-yl]benzenesulfonamide
CID 66891242
N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
CID 126622029
4-bromo-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333177
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
5-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062449

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride (CID 141059713) is 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(Nc1cc(N2CCNCC2)c2occc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
The InChIKey is HIBCEEWYWLAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S.ClH/c19-14-1-3-16(4-2-14)26(23,24)21-15-11-13-5-10-25-18(13)17(12-15)22-8-6-20-7-9-22;/h1-5,10-12,20-21H,6-9H2;1H.
What are the key properties of 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride has a molecular weight of 472.79 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 141059713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).