2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide

C19H23BrN4O3S — CID 55846460

IUPAC2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
SMILESCC1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)ccc3Br)cn2)CC1
InChIInChI=1S/C19H23BrN4O3S/c1-13-6-8-24(9-7-13)18-5-2-14(11-22-18)12-23-19(25)16-10-15(28(21,26)27)3-4-17(16)20/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,25)(H2,21,26,27)
InChIKeyGPDQOXLKQVEJCZ-UHFFFAOYSA-N
MW467.39 g/mol
LogP2.66
Rot. Bonds5

About 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide

2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide (PubChem CID 55846460) has the molecular formula C19H23BrN4O3S and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
PubChem CID55846460
Molecular FormulaC19H23BrN4O3S
Molecular Weight467.39 g/mol
Exact Mass466.07
IUPAC Name2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
SMILESCC1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)ccc3Br)cn2)CC1
InChIInChI=1S/C19H23BrN4O3S/c1-13-6-8-24(9-7-13)18-5-2-14(11-22-18)12-23-19(25)16-10-15(28(21,26)27)3-4-17(16)20/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,25)(H2,21,26,27)
InChIKeyGPDQOXLKQVEJCZ-UHFFFAOYSA-N
XLogP2.66
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55709712
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540241
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-nitrothiophene-2-carboxamide
CID 55746854
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99817715
5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964496
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55749828
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide (CID 55846460) is 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide is CC1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)ccc3Br)cn2)CC1.
What is the InChIKey of 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
The InChIKey is GPDQOXLKQVEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3S/c1-13-6-8-24(9-7-13)18-5-2-14(11-22-18)12-23-19(25)16-10-15(28(21,26)27)3-4-17(16)20/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,25)(H2,21,26,27).
What are the key properties of 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide?
2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide has a molecular weight of 467.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 55846460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).