2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide

C19H20BrFN2O3S — CID 60555860

IUPAC2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C19H20BrFN2O3S/c20-17-8-7-15(27(22,25)26)11-16(17)18(24)23-12-19(9-1-2-10-19)13-3-5-14(21)6-4-13/h3-8,11H,1-2,9-10,12H2,(H,23,24)(H2,22,25,26)
InChIKeyHFQSXJKNFCXMGT-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.48
Rot. Bonds5

About 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide

2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide (PubChem CID 60555860) has the molecular formula C19H20BrFN2O3S and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
PubChem CID60555860
Molecular FormulaC19H20BrFN2O3S
Molecular Weight455.35 g/mol
Exact Mass454.04
IUPAC Name2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C19H20BrFN2O3S/c20-17-8-7-15(27(22,25)26)11-16(17)18(24)23-12-19(9-1-2-10-19)13-3-5-14(21)6-4-13/h3-8,11H,1-2,9-10,12H2,(H,23,24)(H2,22,25,26)
InChIKeyHFQSXJKNFCXMGT-UHFFFAOYSA-N
XLogP3.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60615489
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
CID 126774582
4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
CID 60555753
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
1-[[(2-bromo-5-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435855
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55746120
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide (CID 60555860) is 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c1.
What is the InChIKey of 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide?
The InChIKey is HFQSXJKNFCXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3S/c20-17-8-7-15(27(22,25)26)11-16(17)18(24)23-12-19(9-1-2-10-19)13-3-5-14(21)6-4-13/h3-8,11H,1-2,9-10,12H2,(H,23,24)(H2,22,25,26).
What are the key properties of 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide?
2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide has a molecular weight of 455.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 60555860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).