4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide

C16H17BrN2O4S — CID 9227498

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)15-10-13(8-9-14(15)17)16(20)18-23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyUFGHZWFBEIPJPX-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.56
Rot. Bonds6

About 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide

4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide (PubChem CID 9227498) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
PubChem CID9227498
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)15-10-13(8-9-14(15)17)16(20)18-23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyUFGHZWFBEIPJPX-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227450
4-bromo-N-phenylmethoxybenzamide
CID 41450559
(4-carbamoylphenyl)methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 26961474
(3-methylphenyl)methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 40613741
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375
2-oxopropyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 7975289
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide (CID 9227498) is 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide is CN(C)S(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide?
The InChIKey is UFGHZWFBEIPJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)15-10-13(8-9-14(15)17)16(20)18-23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide?
4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide has a molecular weight of 413.29 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide is sourced from PubChem (CID 9227498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).