5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide

C20H33FN4O3S — CID 86823530

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)CN2CCN(C)CC2)c1
InChIInChI=1S/C20H33FN4O3S/c1-5-25(6-2)29(27,28)17-7-8-19(21)18(13-17)20(26)22-14-16(3)15-24-11-9-23(4)10-12-24/h7-8,13,16H,5-6,9-12,14-15H2,1-4H3,(H,22,26)
InChIKeyZXBBJGFBEHKNHP-UHFFFAOYSA-N
MW428.57 g/mol
LogP1.47
Rot. Bonds9

About 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide

5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 86823530) has the molecular formula C20H33FN4O3S and a molecular weight of 428.57 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID86823530
Molecular FormulaC20H33FN4O3S
Molecular Weight428.57 g/mol
Exact Mass428.23
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)CN2CCN(C)CC2)c1
InChIInChI=1S/C20H33FN4O3S/c1-5-25(6-2)29(27,28)17-7-8-19(21)18(13-17)20(26)22-14-16(3)15-24-11-9-23(4)10-12-24/h7-8,13,16H,5-6,9-12,14-15H2,1-4H3,(H,22,26)
InChIKeyZXBBJGFBEHKNHP-UHFFFAOYSA-N
XLogP1.47
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide
CID 86968752
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 86823530) is 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)CN2CCN(C)CC2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is ZXBBJGFBEHKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4O3S/c1-5-25(6-2)29(27,28)17-7-8-19(21)18(13-17)20(26)22-14-16(3)15-24-11-9-23(4)10-12-24/h7-8,13,16H,5-6,9-12,14-15H2,1-4H3,(H,22,26).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 428.57 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 86823530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).