3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide

C21H18BrFN2O4S — CID 26887067

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-29-19-11-6-14(21(26)24-13-15-4-2-3-5-18(15)23)12-20(19)30(27,28)25-17-9-7-16(22)8-10-17/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyZAYPJSTZSUUPMD-UHFFFAOYSA-N
MW493.35 g/mol
LogP4.33
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide

3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide (PubChem CID 26887067) has the molecular formula C21H18BrFN2O4S and a molecular weight of 493.35 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
PubChem CID26887067
Molecular FormulaC21H18BrFN2O4S
Molecular Weight493.35 g/mol
Exact Mass492.02
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-29-19-11-6-14(21(26)24-13-15-4-2-3-5-18(15)23)12-20(19)30(27,28)25-17-9-7-16(22)8-10-17/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyZAYPJSTZSUUPMD-UHFFFAOYSA-N
XLogP4.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614
3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241498
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide (CID 26887067) is 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is ZAYPJSTZSUUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O4S/c1-29-19-11-6-14(21(26)24-13-15-4-2-3-5-18(15)23)12-20(19)30(27,28)25-17-9-7-16(22)8-10-17/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide has a molecular weight of 493.35 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 26887067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).