5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide

C24H26N4O3S — CID 50822911

IUPAC5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
SMILESO=C(NCc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCNCC1
InChIInChI=1S/C24H26N4O3S/c29-24(26-18-19-7-3-1-4-8-19)22-17-20(11-12-23(22)28-15-13-25-14-16-28)27-32(30,31)21-9-5-2-6-10-21/h1-12,17,25,27H,13-16,18H2,(H,26,29)
InChIKeyAJUKTCPZSUMQTG-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.83
Rot. Bonds7

About 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide

5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide (PubChem CID 50822911) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
PubChem CID50822911
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
SMILESO=C(NCc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCNCC1
InChIInChI=1S/C24H26N4O3S/c29-24(26-18-19-7-3-1-4-8-19)22-17-20(11-12-23(22)28-15-13-25-14-16-28)27-32(30,31)21-9-5-2-6-10-21/h1-12,17,25,27H,13-16,18H2,(H,26,29)
InChIKeyAJUKTCPZSUMQTG-UHFFFAOYSA-N
XLogP2.83
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.83
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

N-benzyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062610
5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide
CID 1054868
N-benzyl-2-piperazin-1-yl-5-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
CID 146062492
4-[4-(benzenesulfonamido)-2-[(4-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42679047
5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
CID 46379559
5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146062562
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
CID 20972171
5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
CID 46379661
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylbenzamide
CID 46379635
5-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062449
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide?
The IUPAC name of 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide (CID 50822911) is 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide is O=C(NCc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCNCC1.
What is the InChIKey of 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide?
The InChIKey is AJUKTCPZSUMQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-24(26-18-19-7-3-1-4-8-19)22-17-20(11-12-23(22)28-15-13-25-14-16-28)27-32(30,31)21-9-5-2-6-10-21/h1-12,17,25,27H,13-16,18H2,(H,26,29).
What are the key properties of 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide?
5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 50822911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).