2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide

C15H17BrN4O3S — CID 55692623

IUPAC2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
SMILESCN(C)c1ncccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C15H17BrN4O3S/c1-20(2)14-10(4-3-7-18-14)9-19-15(21)12-8-11(24(17,22)23)5-6-13(12)16/h3-8H,9H2,1-2H3,(H,19,21)(H2,17,22,23)
InChIKeyWNJAMSZVOKOQQW-UHFFFAOYSA-N
MW413.30 g/mol
LogP1.49
Rot. Bonds5

About 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide

2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide (PubChem CID 55692623) has the molecular formula C15H17BrN4O3S and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
PubChem CID55692623
Molecular FormulaC15H17BrN4O3S
Molecular Weight413.30 g/mol
Exact Mass412.02
IUPAC Name2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
SMILESCN(C)c1ncccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C15H17BrN4O3S/c1-20(2)14-10(4-3-7-18-14)9-19-15(21)12-8-11(24(17,22)23)5-6-13(12)16/h3-8H,9H2,1-2H3,(H,19,21)(H2,17,22,23)
InChIKeyWNJAMSZVOKOQQW-UHFFFAOYSA-N
XLogP1.49
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide
CID 9414471
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55692957
4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692896
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 56752240
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
CID 25336077
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 47031660
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
2-bromo-N-[2-(dimethylamino)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55647459
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 46454558

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide (CID 55692623) is 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide is CN(C)c1ncccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
The InChIKey is WNJAMSZVOKOQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3S/c1-20(2)14-10(4-3-7-18-14)9-19-15(21)12-8-11(24(17,22)23)5-6-13(12)16/h3-8H,9H2,1-2H3,(H,19,21)(H2,17,22,23).
What are the key properties of 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide has a molecular weight of 413.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 55692623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).