2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide

C16H18BrN3O3S — CID 32896855

IUPAC2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C16H18BrN3O3S/c1-16(2,3)20-24(22,23)12-4-5-14(17)13(10-12)15(21)19-11-6-8-18-9-7-11/h4-10,20H,1-3H3,(H,18,19,21)
InChIKeyRKCUSHOIOAGSHN-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.17
Rot. Bonds4

About 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide

2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide (PubChem CID 32896855) has the molecular formula C16H18BrN3O3S and a molecular weight of 412.31 g/mol. Its IUPAC name is 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
PubChem CID32896855
Molecular FormulaC16H18BrN3O3S
Molecular Weight412.31 g/mol
Exact Mass411.03
IUPAC Name2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C16H18BrN3O3S/c1-16(2,3)20-24(22,23)12-4-5-14(17)13(10-12)15(21)19-11-6-8-18-9-7-11/h4-10,20H,1-3H3,(H,18,19,21)
InChIKeyRKCUSHOIOAGSHN-UHFFFAOYSA-N
XLogP3.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
CID 26579182
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38259281
2-bromo-5-(tert-butylsulfamoyl)-N-prop-2-ynylbenzamide
CID 32693294
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 32537367
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 32935188
2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
CID 32886231
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 32795071

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide (CID 32896855) is 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide is CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide?
The InChIKey is RKCUSHOIOAGSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S/c1-16(2,3)20-24(22,23)12-4-5-14(17)13(10-12)15(21)19-11-6-8-18-9-7-11/h4-10,20H,1-3H3,(H,18,19,21).
What are the key properties of 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide?
2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide has a molecular weight of 412.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 32896855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).