N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide

C21H18BrFN2O3S — CID 30288210

IUPACN-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H18BrFN2O3S/c1-25(14-16-7-2-3-10-18(16)22)21(26)15-8-6-9-17(13-15)29(27,28)24-20-12-5-4-11-19(20)23/h2-13,24H,14H2,1H3
InChIKeyKBRKCZKDLLUYPT-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.66
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide

N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 30288210) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID30288210
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC NameN-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H18BrFN2O3S/c1-25(14-16-7-2-3-10-18(16)22)21(26)15-8-6-9-17(13-15)29(27,28)24-20-12-5-4-11-19(20)23/h2-13,24H,14H2,1H3
InChIKeyKBRKCZKDLLUYPT-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 17438125
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24516663
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 60598503
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 55579772
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide (CID 30288210) is N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide is CN(Cc1ccccc1Br)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is KBRKCZKDLLUYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c1-25(14-16-7-2-3-10-18(16)22)21(26)15-8-6-9-17(13-15)29(27,28)24-20-12-5-4-11-19(20)23/h2-13,24H,14H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide?
N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 477.36 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 30288210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).