4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide

C21H24BrFN2O3S — CID 55781244

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)ccc1Br
InChIInChI=1S/C21H24BrFN2O3S/c1-25(2)29(27,28)19-13-15(5-10-18(19)22)20(26)24-14-21(11-3-4-12-21)16-6-8-17(23)9-7-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)
InChIKeyZBKGMVDQXWNQRI-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.08
Rot. Bonds6

About 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide

4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide (PubChem CID 55781244) has the molecular formula C21H24BrFN2O3S and a molecular weight of 483.40 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
PubChem CID55781244
Molecular FormulaC21H24BrFN2O3S
Molecular Weight483.40 g/mol
Exact Mass482.07
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)ccc1Br
InChIInChI=1S/C21H24BrFN2O3S/c1-25(2)29(27,28)19-13-15(5-10-18(19)22)20(26)24-14-21(11-3-4-12-21)16-6-8-17(23)9-7-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)
InChIKeyZBKGMVDQXWNQRI-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide (CID 55781244) is 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
The InChIKey is ZBKGMVDQXWNQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFN2O3S/c1-25(2)29(27,28)19-13-15(5-10-18(19)22)20(26)24-14-21(11-3-4-12-21)16-6-8-17(23)9-7-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide has a molecular weight of 483.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 55781244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).