N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide

C18H22FN3O3S — CID 109060264

IUPACN-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O3S/c1-22(2)13-3-12-20-18(23)14-4-10-17(11-5-14)26(24,25)21-16-8-6-15(19)7-9-16/h4-11,21H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyRGCMBDMUPICKEW-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.31
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide

N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 109060264) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID109060264
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O3S/c1-22(2)13-3-12-20-18(23)14-4-10-17(11-5-14)26(24,25)21-16-8-6-15(19)7-9-16/h4-11,21H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyRGCMBDMUPICKEW-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.31
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-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109060108
N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109060255
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (CID 109060264) is N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide is CN(C)CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is RGCMBDMUPICKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-22(2)13-3-12-20-18(23)14-4-10-17(11-5-14)26(24,25)21-16-8-6-15(19)7-9-16/h4-11,21H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109060264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).