4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

C16H17BrN2O3S — CID 38122539

IUPAC4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-18-23(21,22)11-13-4-2-12(3-5-13)10-19-16(20)14-6-8-15(17)9-7-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyXIHMDEPDCKGQLK-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.43
Rot. Bonds6

About 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 38122539) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID38122539
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-18-23(21,22)11-13-4-2-12(3-5-13)10-19-16(20)14-6-8-15(17)9-7-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyXIHMDEPDCKGQLK-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 33118512
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122928
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560231
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (CID 38122539) is 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is XIHMDEPDCKGQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-18-23(21,22)11-13-4-2-12(3-5-13)10-19-16(20)14-6-8-15(17)9-7-14/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 397.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 38122539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).