N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide

C16H16BrClN2O4S — CID 27667536

IUPACN-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1Cl
InChIInChI=1S/C16H16BrClN2O4S/c1-10-8-12(5-6-13(10)17)19-16(21)11-4-7-14(18)15(9-11)25(22,23)20(2)24-3/h4-9H,1-3H3,(H,19,21)
InChIKeyFGJQECJWPLLYHB-UHFFFAOYSA-N
MW447.74 g/mol
LogP3.85
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide

N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 27667536) has the molecular formula C16H16BrClN2O4S and a molecular weight of 447.74 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID27667536
Molecular FormulaC16H16BrClN2O4S
Molecular Weight447.74 g/mol
Exact Mass445.97
IUPAC NameN-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1Cl
InChIInChI=1S/C16H16BrClN2O4S/c1-10-8-12(5-6-13(10)17)19-16(21)11-4-7-14(18)15(9-11)25(22,23)20(2)24-3/h4-9H,1-3H3,(H,19,21)
InChIKeyFGJQECJWPLLYHB-UHFFFAOYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 53.85
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

N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55835625
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55532770
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 30900607
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide (CID 27667536) is N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1Cl.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is FGJQECJWPLLYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O4S/c1-10-8-12(5-6-13(10)17)19-16(21)11-4-7-14(18)15(9-11)25(22,23)20(2)24-3/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 447.74 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 27667536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).