N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide

C20H18BrN3O5S — CID 3906509

IUPACN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccn3)ccc2OC)cc1Br
InChIInChI=1S/C20H18BrN3O5S/c1-28-17-8-7-14(11-15(17)21)24-30(26,27)19-12-13(6-9-18(19)29-2)23-20(25)16-5-3-4-10-22-16/h3-12,24H,1-2H3,(H,23,25)
InChIKeyLCUOPEPXBPSQIQ-UHFFFAOYSA-N
MW492.35 g/mol
LogP3.91
Rot. Bonds7

About N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide

N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide (PubChem CID 3906509) has the molecular formula C20H18BrN3O5S and a molecular weight of 492.35 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide
PubChem CID3906509
Molecular FormulaC20H18BrN3O5S
Molecular Weight492.35 g/mol
Exact Mass491.02
IUPAC NameN-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccn3)ccc2OC)cc1Br
InChIInChI=1S/C20H18BrN3O5S/c1-28-17-8-7-14(11-15(17)21)24-30(26,27)19-12-13(6-9-18(19)29-2)23-20(25)16-5-3-4-10-22-16/h3-12,24H,1-2H3,(H,23,25)
InChIKeyLCUOPEPXBPSQIQ-UHFFFAOYSA-N
XLogP3.91
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide (CID 3906509) is N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccn3)ccc2OC)cc1Br.
What is the InChIKey of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide?
The InChIKey is LCUOPEPXBPSQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O5S/c1-28-17-8-7-14(11-15(17)21)24-30(26,27)19-12-13(6-9-18(19)29-2)23-20(25)16-5-3-4-10-22-16/h3-12,24H,1-2H3,(H,23,25).
What are the key properties of N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide?
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide has a molecular weight of 492.35 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 3906509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).