4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide

C19H24FN3O3S — CID 109060291

IUPAC4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-23(2)13-3-12-22-27(25,26)18-10-6-16(7-11-18)19(24)21-14-15-4-8-17(20)9-5-15/h4-11,22H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyNZSKKWAXOPRABI-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.99
Rot. Bonds9

About 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide

4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 109060291) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID109060291
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-23(2)13-3-12-22-27(25,26)18-10-6-16(7-11-18)19(24)21-14-15-4-8-17(20)9-5-15/h4-11,22H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyNZSKKWAXOPRABI-UHFFFAOYSA-N
XLogP1.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
CID 109060317
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide (CID 109060291) is 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide is CN(C)CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is NZSKKWAXOPRABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-23(2)13-3-12-22-27(25,26)18-10-6-16(7-11-18)19(24)21-14-15-4-8-17(20)9-5-15/h4-11,22H,3,12-14H2,1-2H3,(H,21,24).
What are the key properties of 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 393.48 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 109060291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).