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

C20H21BrF2N2O3S — CID 25046549

IUPACN-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F
InChIInChI=1S/C20H21BrF2N2O3S/c21-13-7-10-19(18(23)11-13)24-20(26)16-12-15(8-9-17(16)22)29(27,28)25-14-5-3-1-2-4-6-14/h7-12,14,25H,1-6H2,(H,24,26)
InChIKeyZOOXRLULLAFXNU-UHFFFAOYSA-N
MW487.37 g/mol
LogP4.98
Rot. Bonds5

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

N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide (PubChem CID 25046549) has the molecular formula C20H21BrF2N2O3S and a molecular weight of 487.37 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide
PubChem CID25046549
Molecular FormulaC20H21BrF2N2O3S
Molecular Weight487.37 g/mol
Exact Mass486.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F
InChIInChI=1S/C20H21BrF2N2O3S/c21-13-7-10-19(18(23)11-13)24-20(26)16-12-15(8-9-17(16)22)29(27,28)25-14-5-3-1-2-4-6-14/h7-12,14,25H,1-6H2,(H,24,26)
InChIKeyZOOXRLULLAFXNU-UHFFFAOYSA-N
XLogP4.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.37
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892724
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
5-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 4685317
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580
5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 3452162
5-(cyclopentylsulfamoyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 5157745
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide (CID 25046549) is N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide?
The InChIKey is ZOOXRLULLAFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrF2N2O3S/c21-13-7-10-19(18(23)11-13)24-20(26)16-12-15(8-9-17(16)22)29(27,28)25-14-5-3-1-2-4-6-14/h7-12,14,25H,1-6H2,(H,24,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide?
N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide has a molecular weight of 487.37 g/mol, XLogP of 4.98, 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-(cycloheptylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 25046549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).