4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C24H26N4O3S — CID 53279951

IUPAC4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O3S/c1-27-15-17-28(18-16-27)22-13-11-20(12-14-22)25-24(29)19-7-9-21(10-8-19)26-32(30,31)23-5-3-2-4-6-23/h2-14,26H,15-18H2,1H3,(H,25,29)
InChIKeyCAHNXEPSJMSRFC-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.49
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 53279951) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID53279951
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O3S/c1-27-15-17-28(18-16-27)22-13-11-20(12-14-22)25-24(29)19-7-9-21(10-8-19)26-32(30,31)23-5-3-2-4-6-23/h2-14,26H,15-18H2,1H3,(H,25,29)
InChIKeyCAHNXEPSJMSRFC-UHFFFAOYSA-N
XLogP3.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.49
H-Bond Donors ≤ 52
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

4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide
CID 144638395
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 53279951) is 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is CAHNXEPSJMSRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-27-15-17-28(18-16-27)22-13-11-20(12-14-22)25-24(29)19-7-9-21(10-8-19)26-32(30,31)23-5-3-2-4-6-23/h2-14,26H,15-18H2,1H3,(H,25,29).
What are the key properties of 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 53279951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).