5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide

C21H20BrN3O3S — CID 5225975

IUPAC5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cncc(Br)c3)c2)c(C)c1
InChIInChI=1S/C21H20BrN3O3S/c1-13-4-7-19(15(3)8-13)25-29(27,28)18-6-5-14(2)20(10-18)24-21(26)16-9-17(22)12-23-11-16/h4-12,25H,1-3H3,(H,24,26)
InChIKeyXMZNMGNQMMFPOV-UHFFFAOYSA-N
MW474.38 g/mol
LogP4.82
Rot. Bonds5

About 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide

5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 5225975) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID5225975
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC Name5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cncc(Br)c3)c2)c(C)c1
InChIInChI=1S/C21H20BrN3O3S/c1-13-4-7-19(15(3)8-13)25-29(27,28)18-6-5-14(2)20(10-18)24-21(26)16-9-17(22)12-23-11-16/h4-12,25H,1-3H3,(H,24,26)
InChIKeyXMZNMGNQMMFPOV-UHFFFAOYSA-N
XLogP4.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-1,3-benzothiazole-6-carboxamide
CID 4881701
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 26881964
N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960019
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606
1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea
CID 47005881
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
3-bromo-N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54791735

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide (CID 5225975) is 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cncc(Br)c3)c2)c(C)c1.
What is the InChIKey of 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is XMZNMGNQMMFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-13-4-7-19(15(3)8-13)25-29(27,28)18-6-5-14(2)20(10-18)24-21(26)16-9-17(22)12-23-11-16/h4-12,25H,1-3H3,(H,24,26).
What are the key properties of 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide?
5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 474.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 5225975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).