5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C16H13BrClN3O3S2 — CID 155287668

IUPAC5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cc3cc(Br)cnc3s2)ccc1Cl
InChIInChI=1S/C16H13BrClN3O3S2/c1-21(2)26(23,24)14-7-11(3-4-12(14)18)20-15(22)13-6-9-5-10(17)8-19-16(9)25-13/h3-8H,1-2H3,(H,20,22)
InChIKeyOGQXOCRCSGARNJ-UHFFFAOYSA-N
MW474.79 g/mol
LogP4.21
Rot. Bonds4

About 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155287668) has the molecular formula C16H13BrClN3O3S2 and a molecular weight of 474.79 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155287668
Molecular FormulaC16H13BrClN3O3S2
Molecular Weight474.79 g/mol
Exact Mass472.93
IUPAC Name5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cc3cc(Br)cnc3s2)ccc1Cl
InChIInChI=1S/C16H13BrClN3O3S2/c1-21(2)26(23,24)14-7-11(3-4-12(14)18)20-15(22)13-6-9-5-10(17)8-19-16(9)25-13/h3-8H,1-2H3,(H,20,22)
InChIKeyOGQXOCRCSGARNJ-UHFFFAOYSA-N
XLogP4.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 155287658
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(5-fluoro-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 155287730
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide
CID 100680707
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246838
5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287783
2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide
CID 3435467
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 78894571
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 78877447
4-acetyl-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5033969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 155287668) is 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3cc(Br)cnc3s2)ccc1Cl.
What is the InChIKey of 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OGQXOCRCSGARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O3S2/c1-21(2)26(23,24)14-7-11(3-4-12(14)18)20-15(22)13-6-9-5-10(17)8-19-16(9)25-13/h3-8H,1-2H3,(H,20,22).
What are the key properties of 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 474.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155287668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).