3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide

C11H10BrN3O3S2 — CID 107519560

IUPAC3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ncccc2Br)s1
InChIInChI=1S/C11H10BrN3O3S2/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(19-7)20(13,17)18/h1-5H,6H2,(H,15,16)(H2,13,17,18)
InChIKeyRRFQGJYQDQLEDT-UHFFFAOYSA-N
MW376.26 g/mol
LogP1.48
Rot. Bonds4

About 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide

3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 107519560) has the molecular formula C11H10BrN3O3S2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID107519560
Molecular FormulaC11H10BrN3O3S2
Molecular Weight376.26 g/mol
Exact Mass374.93
IUPAC Name3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ncccc2Br)s1
InChIInChI=1S/C11H10BrN3O3S2/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(19-7)20(13,17)18/h1-5H,6H2,(H,15,16)(H2,13,17,18)
InChIKeyRRFQGJYQDQLEDT-UHFFFAOYSA-N
XLogP1.48
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487
N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 47099016
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253
4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242545
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide (CID 107519560) is 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ncccc2Br)s1.
What is the InChIKey of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is RRFQGJYQDQLEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S2/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(19-7)20(13,17)18/h1-5H,6H2,(H,15,16)(H2,13,17,18).
What are the key properties of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 376.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).