5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide

C19H23BrN4O3S — CID 46379559

IUPAC5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1N1CCNCC1
InChIInChI=1S/C19H23BrN4O3S/c1-2-22-19(25)17-13-15(5-8-18(17)24-11-9-21-10-12-24)23-28(26,27)16-6-3-14(20)4-7-16/h3-8,13,21,23H,2,9-12H2,1H3,(H,22,25)
InChIKeyXKIFQKXKKRYYBR-UHFFFAOYSA-N
MW467.39 g/mol
LogP2.41
Rot. Bonds6

About 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide

5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide (PubChem CID 46379559) has the molecular formula C19H23BrN4O3S and a molecular weight of 467.39 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
PubChem CID46379559
Molecular FormulaC19H23BrN4O3S
Molecular Weight467.39 g/mol
Exact Mass466.07
IUPAC Name5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1N1CCNCC1
InChIInChI=1S/C19H23BrN4O3S/c1-2-22-19(25)17-13-15(5-8-18(17)24-11-9-21-10-12-24)23-28(26,27)16-6-3-14(20)4-7-16/h3-8,13,21,23H,2,9-12H2,1H3,(H,22,25)
InChIKeyXKIFQKXKKRYYBR-UHFFFAOYSA-N
XLogP2.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062449
5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
CID 50822911
5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
CID 46379661
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
CID 20972171
5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146062562
N-[(2S)-butan-2-yl]-5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92880534
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylbenzamide
CID 46379635
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379578
N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46379625
N-butan-2-yl-5-[(4-ethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062526
N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide
CID 46379624

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide?
The IUPAC name of 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide (CID 46379559) is 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide?
The canonical SMILES for 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide is CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1N1CCNCC1.
What is the InChIKey of 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide?
The InChIKey is XKIFQKXKKRYYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3S/c1-2-22-19(25)17-13-15(5-8-18(17)24-11-9-21-10-12-24)23-28(26,27)16-6-3-14(20)4-7-16/h3-8,13,21,23H,2,9-12H2,1H3,(H,22,25).
What are the key properties of 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide?
5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide has a molecular weight of 467.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 46379559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).