N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C20H16BrFN2O3S — CID 2711561

IUPACN-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C20H16BrFN2O3S/c1-24(16-5-3-2-4-6-16)28(26,27)17-10-7-14(8-11-17)20(25)23-19-12-9-15(21)13-18(19)22/h2-13H,1H3,(H,23,25)
InChIKeyDMUBVQGRSYYXBU-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.67
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2711561) has the molecular formula C20H16BrFN2O3S and a molecular weight of 463.33 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2711561
Molecular FormulaC20H16BrFN2O3S
Molecular Weight463.33 g/mol
Exact Mass462.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C20H16BrFN2O3S/c1-24(16-5-3-2-4-6-16)28(26,27)17-10-7-14(8-11-17)20(25)23-19-12-9-15(21)13-18(19)22/h2-13H,1H3,(H,23,25)
InChIKeyDMUBVQGRSYYXBU-UHFFFAOYSA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43976196
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2711561) is N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is DMUBVQGRSYYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3S/c1-24(16-5-3-2-4-6-16)28(26,27)17-10-7-14(8-11-17)20(25)23-19-12-9-15(21)13-18(19)22/h2-13H,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 463.33 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2711561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).