4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C16H18BrN3O3S — CID 78770854

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H18BrN3O3S/c1-19(2)24(22,23)15-9-13(6-7-14(15)17)16(21)20(3)11-12-5-4-8-18-10-12/h4-10H,11H2,1-3H3
InChIKeyPYNMOFYJMTWSIC-UHFFFAOYSA-N
MW412.31 g/mol
LogP2.37
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 78770854) has the molecular formula C16H18BrN3O3S and a molecular weight of 412.31 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID78770854
Molecular FormulaC16H18BrN3O3S
Molecular Weight412.31 g/mol
Exact Mass411.03
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H18BrN3O3S/c1-19(2)24(22,23)15-9-13(6-7-14(15)17)16(21)20(3)11-12-5-4-8-18-10-12/h4-10H,11H2,1-3H3
InChIKeyPYNMOFYJMTWSIC-UHFFFAOYSA-N
XLogP2.37
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide
CID 39791197
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 78770854) is 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PYNMOFYJMTWSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S/c1-19(2)24(22,23)15-9-13(6-7-14(15)17)16(21)20(3)11-12-5-4-8-18-10-12/h4-10H,11H2,1-3H3.
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 412.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 78770854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).