2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide

C16H17BrN2O4S — CID 9299980

IUPAC2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(CO)c2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(22,23)13-6-7-15(17)14(9-13)16(21)18-12-5-3-4-11(8-12)10-20/h3-9,20H,10H2,1-2H3,(H,18,21)
InChIKeyQBMMRYGDAJDPKH-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.44
Rot. Bonds5

About 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide

2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide (PubChem CID 9299980) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
PubChem CID9299980
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(CO)c2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(22,23)13-6-7-15(17)14(9-13)16(21)18-12-5-3-4-11(8-12)10-20/h3-9,20H,10H2,1-2H3,(H,18,21)
InChIKeyQBMMRYGDAJDPKH-UHFFFAOYSA-N
XLogP2.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 8839427
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 43006074
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
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N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
3-(dimethylsulfamoyl)-N-[3-(2-methylpropyl)phenyl]benzamide
CID 110425651
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide (CID 9299980) is 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(CO)c2)c1.
What is the InChIKey of 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is QBMMRYGDAJDPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-19(2)24(22,23)13-6-7-15(17)14(9-13)16(21)18-12-5-3-4-11(8-12)10-20/h3-9,20H,10H2,1-2H3,(H,18,21).
What are the key properties of 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide?
2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 413.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 9299980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).