N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide

C18H17BrF2N2O3S — CID 4100500

IUPACN-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C18H17BrF2N2O3S/c19-11-5-8-17(16(21)9-11)22-18(24)14-10-13(6-7-15(14)20)27(25,26)23-12-3-1-2-4-12/h5-10,12,23H,1-4H2,(H,22,24)
InChIKeyFATVWAVTKGEINU-UHFFFAOYSA-N
MW459.31 g/mol
LogP4.20
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide

N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide (PubChem CID 4100500) has the molecular formula C18H17BrF2N2O3S and a molecular weight of 459.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide
PubChem CID4100500
Molecular FormulaC18H17BrF2N2O3S
Molecular Weight459.31 g/mol
Exact Mass458.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C18H17BrF2N2O3S/c19-11-5-8-17(16(21)9-11)22-18(24)14-10-13(6-7-15(14)20)27(25,26)23-12-3-1-2-4-12/h5-10,12,23H,1-4H2,(H,22,24)
InChIKeyFATVWAVTKGEINU-UHFFFAOYSA-N
XLogP4.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.31
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide (CID 4100500) is N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)NC2CCCC2)ccc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide?
The InChIKey is FATVWAVTKGEINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O3S/c19-11-5-8-17(16(21)9-11)22-18(24)14-10-13(6-7-15(14)20)27(25,26)23-12-3-1-2-4-12/h5-10,12,23H,1-4H2,(H,22,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide?
N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide has a molecular weight of 459.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(cyclopentylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 4100500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).