4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide

C25H29N3O3S — CID 55428597

IUPAC4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-3-28(4-2)19-21-12-10-20(11-13-21)18-26-25(29)22-14-16-23(17-15-22)27-32(30,31)24-8-6-5-7-9-24/h5-17,27H,3-4,18-19H2,1-2H3,(H,26,29)
InChIKeyZCDNAXUSCFDCOG-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.26
Rot. Bonds10

About 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide

4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide (PubChem CID 55428597) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
PubChem CID55428597
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-3-28(4-2)19-21-12-10-20(11-13-21)18-26-25(29)22-14-16-23(17-15-22)27-32(30,31)24-8-6-5-7-9-24/h5-17,27H,3-4,18-19H2,1-2H3,(H,26,29)
InChIKeyZCDNAXUSCFDCOG-UHFFFAOYSA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55947241
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24504740
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
CID 44665683

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide (CID 55428597) is 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The InChIKey is ZCDNAXUSCFDCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-3-28(4-2)19-21-12-10-20(11-13-21)18-26-25(29)22-14-16-23(17-15-22)27-32(30,31)24-8-6-5-7-9-24/h5-17,27H,3-4,18-19H2,1-2H3,(H,26,29).
What are the key properties of 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide has a molecular weight of 451.59 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55428597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).