N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide

C16H16BrFN2O3S — CID 26691619

IUPACN-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H16BrFN2O3S/c1-10(2)20-24(22,23)13-5-3-4-11(8-13)16(21)19-15-7-6-12(17)9-14(15)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyHOAMEJWBVZQFLO-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.53
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26691619) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26691619
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H16BrFN2O3S/c1-10(2)20-24(22,23)13-5-3-4-11(8-13)16(21)19-15-7-6-12(17)9-14(15)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyHOAMEJWBVZQFLO-UHFFFAOYSA-N
XLogP3.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
CID 18892739
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 26691619) is N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is HOAMEJWBVZQFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-10(2)20-24(22,23)13-5-3-4-11(8-13)16(21)19-15-7-6-12(17)9-14(15)18/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 415.28 g/mol, XLogP of 3.53, 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)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26691619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).