N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide

C16H17BrN2O3S — CID 4264331

IUPACN-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1Br
InChIInChI=1S/C16H17BrN2O3S/c1-11-10-13(6-9-15(11)17)18-16(20)12-4-7-14(8-5-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyJXEJQCRSJFNUDZ-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.26
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide

N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 4264331) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID4264331
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1Br
InChIInChI=1S/C16H17BrN2O3S/c1-11-10-13(6-9-15(11)17)18-16(20)12-4-7-14(8-5-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyJXEJQCRSJFNUDZ-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
N-(4-bromo-3-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1252221
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide (CID 4264331) is N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is JXEJQCRSJFNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-11-10-13(6-9-15(11)17)18-16(20)12-4-7-14(8-5-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide?
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 397.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 4264331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).