2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide

C16H14BrN3O4S — CID 154860806

IUPAC2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)NN2Cc3ccccc3C2=O)c1
InChIInChI=1S/C16H14BrN3O4S/c1-18-25(23,24)11-6-7-14(17)13(8-11)15(21)19-20-9-10-4-2-3-5-12(10)16(20)22/h2-8,18H,9H2,1H3,(H,19,21)
InChIKeyUMMCXYPDGNAXAP-UHFFFAOYSA-N
MW424.28 g/mol
LogP1.66
Rot. Bonds4

About 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide

2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide (PubChem CID 154860806) has the molecular formula C16H14BrN3O4S and a molecular weight of 424.28 g/mol. Its IUPAC name is 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide
PubChem CID154860806
Molecular FormulaC16H14BrN3O4S
Molecular Weight424.28 g/mol
Exact Mass422.99
IUPAC Name2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)NN2Cc3ccccc3C2=O)c1
InChIInChI=1S/C16H14BrN3O4S/c1-18-25(23,24)11-6-7-14(17)13(8-11)15(21)19-20-9-10-4-2-3-5-12(10)16(20)22/h2-8,18H,9H2,1H3,(H,19,21)
InChIKeyUMMCXYPDGNAXAP-UHFFFAOYSA-N
XLogP1.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
CID 9296499
2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 121398580
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide
CID 154873489
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55524756
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide
CID 35804401
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 17484041
N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678034
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide?
The IUPAC name of 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide (CID 154860806) is 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide is CNS(=O)(=O)c1ccc(Br)c(C(=O)NN2Cc3ccccc3C2=O)c1.
What is the InChIKey of 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide?
The InChIKey is UMMCXYPDGNAXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O4S/c1-18-25(23,24)11-6-7-14(17)13(8-11)15(21)19-20-9-10-4-2-3-5-12(10)16(20)22/h2-8,18H,9H2,1H3,(H,19,21).
What are the key properties of 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide?
2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide has a molecular weight of 424.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide is sourced from PubChem (CID 154860806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).