N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

C18H22FN3O3S — CID 109064246

IUPACN-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H22FN3O3S/c1-22(2)12-6-11-20-18(23)14-7-5-8-15(13-14)26(24,25)21-17-10-4-3-9-16(17)19/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,20,23)
InChIKeyTXPCUJOZQZBRQQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.31
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 109064246) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID109064246
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H22FN3O3S/c1-22(2)12-6-11-20-18(23)14-7-5-8-15(13-14)26(24,25)21-17-10-4-3-9-16(17)19/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,20,23)
InChIKeyTXPCUJOZQZBRQQ-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

3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
N-[2-(dimethylamino)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109064098
3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55720773
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 109064246) is N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is CN(C)CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is TXPCUJOZQZBRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-22(2)12-6-11-20-18(23)14-7-5-8-15(13-14)26(24,25)21-17-10-4-3-9-16(17)19/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[3-(dimethylamino)propyl]-3-[(2-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]-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109064246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).